4-cyano-N-(1,2,4-triazol-4-yl)benzamide

C10H7N5O — CID 2409153

IUPAC4-cyano-N-(1,2,4-triazol-4-yl)benzamide
SMILESN#Cc1ccc(C(=O)Nn2cnnc2)cc1
InChIInChI=1S/C10H7N5O/c11-5-8-1-3-9(4-2-8)10(16)14-15-6-12-13-7-15/h1-4,6-7H,(H,14,16)
InChIKeyILJQWGSHQPQAJW-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.53
Rot. Bonds2

About 4-cyano-N-(1,2,4-triazol-4-yl)benzamide

4-cyano-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 2409153) has the molecular formula C10H7N5O and a molecular weight of 213.20 g/mol. Its IUPAC name is 4-cyano-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID2409153
Molecular FormulaC10H7N5O
Molecular Weight213.20 g/mol
Exact Mass213.07
IUPAC Name4-cyano-N-(1,2,4-triazol-4-yl)benzamide
SMILESN#Cc1ccc(C(=O)Nn2cnnc2)cc1
InChIInChI=1S/C10H7N5O/c11-5-8-1-3-9(4-2-8)10(16)14-15-6-12-13-7-15/h1-4,6-7H,(H,14,16)
InChIKeyILJQWGSHQPQAJW-UHFFFAOYSA-N
XLogP0.53
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 4-cyano-N-(1,2,4-triazol-4-yl)benzamide (CID 2409153) is 4-cyano-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 4-cyano-N-(1,2,4-triazol-4-yl)benzamide is N#Cc1ccc(C(=O)Nn2cnnc2)cc1.
What is the InChIKey of 4-cyano-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is ILJQWGSHQPQAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O/c11-5-8-1-3-9(4-2-8)10(16)14-15-6-12-13-7-15/h1-4,6-7H,(H,14,16).
What are the key properties of 4-cyano-N-(1,2,4-triazol-4-yl)benzamide?
4-cyano-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 213.20 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 2409153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).