2,3-bis(triazol-2-yl)benzonitrile

C11H7N7 — CID 67116562

IUPAC2,3-bis(triazol-2-yl)benzonitrile
SMILESN#Cc1cccc(-n2nccn2)c1-n1nccn1
InChIInChI=1S/C11H7N7/c12-8-9-2-1-3-10(17-13-4-5-14-17)11(9)18-15-6-7-16-18/h1-7H
InChIKeyUZVSODJADUXQLQ-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.72
Rot. Bonds2

About 2,3-bis(triazol-2-yl)benzonitrile

2,3-bis(triazol-2-yl)benzonitrile (PubChem CID 67116562) has the molecular formula C11H7N7 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2,3-bis(triazol-2-yl)benzonitrile.

Molecular Properties

Compound Name2,3-bis(triazol-2-yl)benzonitrile
PubChem CID67116562
Molecular FormulaC11H7N7
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name2,3-bis(triazol-2-yl)benzonitrile
SMILESN#Cc1cccc(-n2nccn2)c1-n1nccn1
InChIInChI=1S/C11H7N7/c12-8-9-2-1-3-10(17-13-4-5-14-17)11(9)18-15-6-7-16-18/h1-7H
InChIKeyUZVSODJADUXQLQ-UHFFFAOYSA-N
XLogP0.72
TPSA85.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile
CID 145009760
2-[2-(2-phenylethenyl)-6-(triazol-2-yl)phenyl]triazole
CID 66643487
N-(2-cyanoethyl)-2-(triazol-2-yl)benzamide
CID 86713084
2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile
CID 145009819
benzene-1,2-dicarbonitrile;palladium(2+);dichloride
CID 175388598
2-(2-methylpyrazol-3-yl)benzene-1,3-dicarbonitrile
CID 173078180
2-(triazol-2-yl)phenol;hydrochloride
CID 156757667
5H-phenazine-1,10-dicarbonitrile
CID 176908764
3-bromo-2-(triazol-1-yl)benzonitrile
CID 84706827
2-(2,5-dihydropyrrol-1-yl)benzonitrile
CID 55265767
1-methyl-2,3-dioxoindole-4-carbonitrile
CID 162355352
(2-fluorophenyl)-[2-(triazol-2-yl)phenyl]methanone
CID 102227880

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(triazol-2-yl)benzonitrile?
The IUPAC name of 2,3-bis(triazol-2-yl)benzonitrile (CID 67116562) is 2,3-bis(triazol-2-yl)benzonitrile.
What is the SMILES notation for 2,3-bis(triazol-2-yl)benzonitrile?
The canonical SMILES for 2,3-bis(triazol-2-yl)benzonitrile is N#Cc1cccc(-n2nccn2)c1-n1nccn1.
What is the InChIKey of 2,3-bis(triazol-2-yl)benzonitrile?
The InChIKey is UZVSODJADUXQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N7/c12-8-9-2-1-3-10(17-13-4-5-14-17)11(9)18-15-6-7-16-18/h1-7H.
What are the key properties of 2,3-bis(triazol-2-yl)benzonitrile?
2,3-bis(triazol-2-yl)benzonitrile has a molecular weight of 237.23 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(triazol-2-yl)benzonitrile is sourced from PubChem (CID 67116562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).