1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,2,4-triazole-3-carboxamide

C20H15FN4O3 — CID 24509234

IUPAC1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,2,4-triazole-3-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3nc(C)n(-c4ccc(F)cc4)n3)ccc12
InChIInChI=1S/C20H15FN4O3/c1-11-9-18(26)28-17-10-14(5-8-16(11)17)23-20(27)19-22-12(2)25(24-19)15-6-3-13(21)4-7-15/h3-10H,1-2H3,(H,23,27)
InChIKeyLWFPHOVMJNXWRW-UHFFFAOYSA-N
MW378.36 g/mol
LogP3.38
Rot. Bonds3

About 1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,2,4-triazole-3-carboxamide

1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,2,4-triazole-3-carboxamide (PubChem CID 24509234) has the molecular formula C20H15FN4O3 and a molecular weight of 378.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,2,4-triazole-3-carboxamide
PubChem CID24509234
Molecular FormulaC20H15FN4O3
Molecular Weight378.36 g/mol
Exact Mass378.11
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,2,4-triazole-3-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3nc(C)n(-c4ccc(F)cc4)n3)ccc12
InChIInChI=1S/C20H15FN4O3/c1-11-9-18(26)28-17-10-14(5-8-16(11)17)23-20(27)19-22-12(2)25(24-19)15-6-3-13(21)4-7-15/h3-10H,1-2H3,(H,23,27)
InChIKeyLWFPHOVMJNXWRW-UHFFFAOYSA-N
XLogP3.38
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-carboxamide
CID 51246107
1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 1473971
N-(3-chloro-4-cyanophenyl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 9456229
N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide
CID 18170333
2-[(4-fluorophenoxy)methyl]-N-(4-methyl-2-oxochromen-7-yl)-1,3-thiazole-4-carboxamide
CID 24672163
N-(4-methyl-2-oxochromen-7-yl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579201
N-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692529
4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841
4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 2675719
1-(4-fluorophenyl)-5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-triazole-3-carboxamide
CID 24509515
N-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide
CID 134153428
5-cyclopropyl-N-(4-methyl-2-oxochromen-7-yl)-1-phenylpyrazole-4-carboxamide
CID 42949093

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,2,4-triazole-3-carboxamide (CID 24509234) is 1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,2,4-triazole-3-carboxamide is Cc1cc(=O)oc2cc(NC(=O)c3nc(C)n(-c4ccc(F)cc4)n3)ccc12.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,2,4-triazole-3-carboxamide?
The InChIKey is LWFPHOVMJNXWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3/c1-11-9-18(26)28-17-10-14(5-8-16(11)17)23-20(27)19-22-12(2)25(24-19)15-6-3-13(21)4-7-15/h3-10H,1-2H3,(H,23,27).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,2,4-triazole-3-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,2,4-triazole-3-carboxamide has a molecular weight of 378.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 24509234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).