1-(2-chlorophenyl)-5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazole-3-carboxamide

C16H14ClN5O2 — CID 51099047

IUPAC1-(2-chlorophenyl)-5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(=O)n(C)c2)nn1-c1ccccc1Cl
InChIInChI=1S/C16H14ClN5O2/c1-10-18-15(20-22(10)13-6-4-3-5-12(13)17)16(24)19-11-7-8-14(23)21(2)9-11/h3-9H,1-2H3,(H,19,24)
InChIKeyAYSWDONGHGSTRV-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.18
Rot. Bonds3

About 1-(2-chlorophenyl)-5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazole-3-carboxamide

1-(2-chlorophenyl)-5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazole-3-carboxamide (PubChem CID 51099047) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazole-3-carboxamide
PubChem CID51099047
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name1-(2-chlorophenyl)-5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(=O)n(C)c2)nn1-c1ccccc1Cl
InChIInChI=1S/C16H14ClN5O2/c1-10-18-15(20-22(10)13-6-4-3-5-12(13)17)16(24)19-11-7-8-14(23)21(2)9-11/h3-9H,1-2H3,(H,19,24)
InChIKeyAYSWDONGHGSTRV-UHFFFAOYSA-N
XLogP2.18
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,4-triazole-3-carboxamide
CID 86867791
6-chloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-2-carboxamide
CID 62234899
1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745606
6-chloro-N-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide
CID 103187156
2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide
CID 61041355
4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 82832923
2,4-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 110725053
2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide
CID 114917371
1-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)indazole-3-carboxamide
CID 166048111
2-fluoro-3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 80718081
1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide
CID 9091495
N-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692529

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazole-3-carboxamide (CID 51099047) is 1-(2-chlorophenyl)-5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)Nc2ccc(=O)n(C)c2)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is AYSWDONGHGSTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-10-18-15(20-22(10)13-6-4-3-5-12(13)17)16(24)19-11-7-8-14(23)21(2)9-11/h3-9H,1-2H3,(H,19,24).
What are the key properties of 1-(2-chlorophenyl)-5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazole-3-carboxamide?
1-(2-chlorophenyl)-5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 343.77 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 51099047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).