5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-methylphenyl)-1,2,4-triazole-3-carboxamide

C21H18N4O2 — CID 42880997

IUPAC5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nc(-c3ccco3)n(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C21H18N4O2/c1-14-8-10-16(11-9-14)22-21(26)19-23-20(18-7-4-12-27-18)25(24-19)17-6-3-5-15(2)13-17/h3-13H,1-2H3,(H,22,26)
InChIKeyGRTWJQCLHYCUTK-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.40
Rot. Bonds4

About 5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-methylphenyl)-1,2,4-triazole-3-carboxamide

5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-methylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42880997) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-methylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID42880997
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nc(-c3ccco3)n(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C21H18N4O2/c1-14-8-10-16(11-9-14)22-21(26)19-23-20(18-7-4-12-27-18)25(24-19)17-6-3-5-15(2)13-17/h3-13H,1-2H3,(H,22,26)
InChIKeyGRTWJQCLHYCUTK-UHFFFAOYSA-N
XLogP4.40
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-methylphenyl)-1,2,4-triazole-3-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

5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 42693035
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 93016639
1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 42692774
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazol-3-yl]methanone
CID 42880998
6-(furan-2-yl)-1,3-dimethyl-N-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609317
3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide
CID 3661667
1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 13292301
[4-[4-(furan-2-carbonylamino)phenyl]-1-(3-methylphenyl)-3-propan-2-ylpyrazol-5-yl] acetate
CID 46013796
2-(furan-2-yl)-7-methyl-N-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53175373
N-(4-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310350
N-[3-[5-(furan-2-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 46134133
1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide
CID 14904628

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-methylphenyl)-1,2,4-triazole-3-carboxamide (CID 42880997) is 5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-methylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-methylphenyl)-1,2,4-triazole-3-carboxamide is Cc1ccc(NC(=O)c2nc(-c3ccco3)n(-c3cccc(C)c3)n2)cc1.
What is the InChIKey of 5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is GRTWJQCLHYCUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-8-10-16(11-9-14)22-21(26)19-23-20(18-7-4-12-27-18)25(24-19)17-6-3-5-15(2)13-17/h3-13H,1-2H3,(H,22,26).
What are the key properties of 5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-methylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-methylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42880997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).