1-(3-chlorophenyl)-5-methyl-N-(2-oxochromen-6-yl)triazole-4-carboxamide

C19H13ClN4O3 — CID 16649095

IUPAC1-(3-chlorophenyl)-5-methyl-N-(2-oxochromen-6-yl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3oc(=O)ccc3c2)nnn1-c1cccc(Cl)c1
InChIInChI=1S/C19H13ClN4O3/c1-11-18(22-23-24(11)15-4-2-3-13(20)10-15)19(26)21-14-6-7-16-12(9-14)5-8-17(25)27-16/h2-10H,1H3,(H,21,26)
InChIKeyHLRNNBBWEPZDEN-UHFFFAOYSA-N
MW380.79 g/mol
LogP3.59
Rot. Bonds3

About 1-(3-chlorophenyl)-5-methyl-N-(2-oxochromen-6-yl)triazole-4-carboxamide

1-(3-chlorophenyl)-5-methyl-N-(2-oxochromen-6-yl)triazole-4-carboxamide (PubChem CID 16649095) has the molecular formula C19H13ClN4O3 and a molecular weight of 380.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-methyl-N-(2-oxochromen-6-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-methyl-N-(2-oxochromen-6-yl)triazole-4-carboxamide
PubChem CID16649095
Molecular FormulaC19H13ClN4O3
Molecular Weight380.79 g/mol
Exact Mass380.07
IUPAC Name1-(3-chlorophenyl)-5-methyl-N-(2-oxochromen-6-yl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3oc(=O)ccc3c2)nnn1-c1cccc(Cl)c1
InChIInChI=1S/C19H13ClN4O3/c1-11-18(22-23-24(11)15-4-2-3-13(20)10-15)19(26)21-14-6-7-16-12(9-14)5-8-17(25)27-16/h2-10H,1H3,(H,21,26)
InChIKeyHLRNNBBWEPZDEN-UHFFFAOYSA-N
XLogP3.59
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.79
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(3-chlorophenyl)-5-methyl-N-(2-oxochromen-6-yl)triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 2137572
1-(3-chlorophenyl)-N-(1H-indazol-5-yl)-5-methyltriazole-4-carboxamide
CID 55870098
1-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55881177
1-(3-chlorophenyl)-5-methyl-N-(4-piperidin-1-ylphenyl)triazole-4-carboxamide
CID 60527463
1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 58191737
2-chloro-N-(2-oxochromen-6-yl)benzamide
CID 965741
5-methyl-1-(4-methylphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)triazole-4-carboxamide
CID 55910593
1-(3-chlorophenyl)-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-5-methyltriazole-4-carboxamide
CID 91651550
N-(3-chlorophenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide
CID 16648940
1-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
CID 46858045
1-(3-chlorophenyl)-N-(3-ethoxypropyl)-5-methyltriazole-4-carboxamide
CID 46858042
5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015790

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-methyl-N-(2-oxochromen-6-yl)triazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-methyl-N-(2-oxochromen-6-yl)triazole-4-carboxamide (CID 16649095) is 1-(3-chlorophenyl)-5-methyl-N-(2-oxochromen-6-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-methyl-N-(2-oxochromen-6-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-methyl-N-(2-oxochromen-6-yl)triazole-4-carboxamide is Cc1c(C(=O)Nc2ccc3oc(=O)ccc3c2)nnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-methyl-N-(2-oxochromen-6-yl)triazole-4-carboxamide?
The InChIKey is HLRNNBBWEPZDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O3/c1-11-18(22-23-24(11)15-4-2-3-13(20)10-15)19(26)21-14-6-7-16-12(9-14)5-8-17(25)27-16/h2-10H,1H3,(H,21,26).
What are the key properties of 1-(3-chlorophenyl)-5-methyl-N-(2-oxochromen-6-yl)triazole-4-carboxamide?
1-(3-chlorophenyl)-5-methyl-N-(2-oxochromen-6-yl)triazole-4-carboxamide has a molecular weight of 380.79 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-methyl-N-(2-oxochromen-6-yl)triazole-4-carboxamide is sourced from PubChem (CID 16649095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).