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1,5,8-Triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CAS:
1367912-79-5
MW:
173.21
MF:
C10H11N3
 
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Names and ldentifier
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
1,5,8-Triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
1.2 CAS No.
1367912-79-5
1.3 CID
82411596
1.4 Molecular Formula
C10H11N3
1.5 Inchi
InChI=1S/C10H11N3/c1-2-6-13-9-4-5-11-7-8(9)12-10(13)3-1/h1-3,6,11H,4-5,7H2
1.6 InChkey
CHDHFHGNWMXANM-UHFFFAOYSA-N
1.7 Canonical Smiles
C1CNCC2=C1N3C=CC=CC3=N2
1.8 Isomers Smiles
C1CNCC2=C1N3C=CC=CC3=N2
2. Computed Properties
Molecular Weight:
173.21g/mol
Molecular Formula:
C
10
H
11
N
3
Compound Is Canonicalized:
True
Exact Mass:
1.2
XLogP3-AA:
173.095297364
Monoisotopic Mass:
173.095297364
Complexity:
195
Rotatable Bond Count:
0
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Topological Polar Surface Area:
29.3
Heavy Atom Count::
13
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADccBzAAAAAAAAAAAAAAAAAAAAAWAAAAAsWAAAAAAAAFgB4AAAHAAQAAAACAjBFwQ9sJ/MGACgATZnZACCgC0xEqAJ2KA4dJiIaOLA2ZGUIAhokALIyCYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
3. Toltal 1 Suppliers
View more
abcr GmbH Germany
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Update Time:
2022/01/01
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4. Realated Product Infomation
6-chloro-3,5,8,11-tetraazatricyclo[7.4.0.02,]trideca-1(9),2(7),3,5,10,12-hexaene
cas:1263285-23-9
11-benzyl-5-(chloromethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.0,]trideca-1(9),2,4,6-tetraen-3-ol
cas:126718-85-2
(3Z,7Z)-3,7,11-trimethyl-13-oxabicyclo[8.3.0]trideca-3,7,11,14-tetraene
cas:57566-47-9
5-Cycloheptyl-13-(dimethylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
cas:869802-57-3
Ethyl (1E)-N-(4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carbonyl)methanehydrazonate
cas:477868-74-9
3-[7-[5-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]pent-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
cas:2207569-08-0
1. Names and Identifiers
1.1 Name
1.2 CAS No.
1.3 Molecular Formula
1.4 Inchi
1.5 InChkey
1.6 Canonical Smiles
1.7 Isomers Smiles
2.
Computational chemical data
3.
Toltal 1 Suppliers
4.
Realated Product Infomation
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