5-amino-N-(3-chlorophenyl)-3-(pyridin-3-ylamino)-1,2,4-triazole-1-carboxamide

C14H12ClN7O — CID 58977035

IUPAC5-amino-N-(3-chlorophenyl)-3-(pyridin-3-ylamino)-1,2,4-triazole-1-carboxamide
SMILESNc1nc(Nc2cccnc2)nn1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H12ClN7O/c15-9-3-1-4-10(7-9)19-14(23)22-12(16)20-13(21-22)18-11-5-2-6-17-8-11/h1-8H,(H,19,23)(H3,16,18,20,21)
InChIKeyVLUGBBOEGUSJLY-UHFFFAOYSA-N
MW329.75 g/mol
LogP2.73
Rot. Bonds3

About 5-amino-N-(3-chlorophenyl)-3-(pyridin-3-ylamino)-1,2,4-triazole-1-carboxamide

5-amino-N-(3-chlorophenyl)-3-(pyridin-3-ylamino)-1,2,4-triazole-1-carboxamide (PubChem CID 58977035) has the molecular formula C14H12ClN7O and a molecular weight of 329.75 g/mol. Its IUPAC name is 5-amino-N-(3-chlorophenyl)-3-(pyridin-3-ylamino)-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-chlorophenyl)-3-(pyridin-3-ylamino)-1,2,4-triazole-1-carboxamide
PubChem CID58977035
Molecular FormulaC14H12ClN7O
Molecular Weight329.75 g/mol
Exact Mass329.08
IUPAC Name5-amino-N-(3-chlorophenyl)-3-(pyridin-3-ylamino)-1,2,4-triazole-1-carboxamide
SMILESNc1nc(Nc2cccnc2)nn1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H12ClN7O/c15-9-3-1-4-10(7-9)19-14(23)22-12(16)20-13(21-22)18-11-5-2-6-17-8-11/h1-8H,(H,19,23)(H3,16,18,20,21)
InChIKeyVLUGBBOEGUSJLY-UHFFFAOYSA-N
XLogP2.73
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 81225135
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CID 19145427
4-chloro-2-N-pyridin-3-ylbenzene-1,2-diamine
CID 115127653
N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566112
N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
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(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148186
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
N-(3-chlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81443324
N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259024
5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109244464
2-amino-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 62155044
(E)-3-(3-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 6073794

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-chlorophenyl)-3-(pyridin-3-ylamino)-1,2,4-triazole-1-carboxamide?
The IUPAC name of 5-amino-N-(3-chlorophenyl)-3-(pyridin-3-ylamino)-1,2,4-triazole-1-carboxamide (CID 58977035) is 5-amino-N-(3-chlorophenyl)-3-(pyridin-3-ylamino)-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 5-amino-N-(3-chlorophenyl)-3-(pyridin-3-ylamino)-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 5-amino-N-(3-chlorophenyl)-3-(pyridin-3-ylamino)-1,2,4-triazole-1-carboxamide is Nc1nc(Nc2cccnc2)nn1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 5-amino-N-(3-chlorophenyl)-3-(pyridin-3-ylamino)-1,2,4-triazole-1-carboxamide?
The InChIKey is VLUGBBOEGUSJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN7O/c15-9-3-1-4-10(7-9)19-14(23)22-12(16)20-13(21-22)18-11-5-2-6-17-8-11/h1-8H,(H,19,23)(H3,16,18,20,21).
What are the key properties of 5-amino-N-(3-chlorophenyl)-3-(pyridin-3-ylamino)-1,2,4-triazole-1-carboxamide?
5-amino-N-(3-chlorophenyl)-3-(pyridin-3-ylamino)-1,2,4-triazole-1-carboxamide has a molecular weight of 329.75 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-chlorophenyl)-3-(pyridin-3-ylamino)-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 58977035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).