1-(4-chlorophenyl)-N-(3-cyanophenyl)-1,2,4-triazole-3-carboxamide

C16H10ClN5O — CID 91885740

IUPAC1-(4-chlorophenyl)-N-(3-cyanophenyl)-1,2,4-triazole-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ncn(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C16H10ClN5O/c17-12-4-6-14(7-5-12)22-10-19-15(21-22)16(23)20-13-3-1-2-11(8-13)9-18/h1-8,10H,(H,20,23)
InChIKeyZWYKPLFCKRYQKK-UHFFFAOYSA-N
MW323.74 g/mol
LogP3.04
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(3-cyanophenyl)-1,2,4-triazole-3-carboxamide

1-(4-chlorophenyl)-N-(3-cyanophenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 91885740) has the molecular formula C16H10ClN5O and a molecular weight of 323.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-cyanophenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-cyanophenyl)-1,2,4-triazole-3-carboxamide
PubChem CID91885740
Molecular FormulaC16H10ClN5O
Molecular Weight323.74 g/mol
Exact Mass323.06
IUPAC Name1-(4-chlorophenyl)-N-(3-cyanophenyl)-1,2,4-triazole-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ncn(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C16H10ClN5O/c17-12-4-6-14(7-5-12)22-10-19-15(21-22)16(23)20-13-3-1-2-11(8-13)9-18/h1-8,10H,(H,20,23)
InChIKeyZWYKPLFCKRYQKK-UHFFFAOYSA-N
XLogP3.04
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
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N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide
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CID 26245567
5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide
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CID 1475891
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide
CID 1280269
2-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092850
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CID 79035948

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-cyanophenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-cyanophenyl)-1,2,4-triazole-3-carboxamide (CID 91885740) is 1-(4-chlorophenyl)-N-(3-cyanophenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-cyanophenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-cyanophenyl)-1,2,4-triazole-3-carboxamide is N#Cc1cccc(NC(=O)c2ncn(-c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-cyanophenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is ZWYKPLFCKRYQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN5O/c17-12-4-6-14(7-5-12)22-10-19-15(21-22)16(23)20-13-3-1-2-11(8-13)9-18/h1-8,10H,(H,20,23).
What are the key properties of 1-(4-chlorophenyl)-N-(3-cyanophenyl)-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-N-(3-cyanophenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 323.74 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-cyanophenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 91885740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).