N-(furan-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C20H16N4O2 — CID 2125675

IUPACN-(furan-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(NCc1ccco1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H16N4O2/c25-20(21-14-17-12-7-13-26-17)18-22-19(15-8-3-1-4-9-15)24(23-18)16-10-5-2-6-11-16/h1-13H,14H2,(H,21,25)
InChIKeySZWACQIGHQJETQ-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.46
Rot. Bonds5

About N-(furan-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-(furan-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 2125675) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID2125675
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-(furan-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(NCc1ccco1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H16N4O2/c25-20(21-14-17-12-7-13-26-17)18-22-19(15-8-3-1-4-9-15)24(23-18)16-10-5-2-6-11-16/h1-13H,14H2,(H,21,25)
InChIKeySZWACQIGHQJETQ-UHFFFAOYSA-N
XLogP3.46
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-yl)furan-2-carboxamide
CID 660706
1-[4-[3-[5-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 10311130
5-Amino-8-(furan-2-yl)-1-methyl-3-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-2-one
CID 56943870
N-(4-(Benzyloxy)PH)-2-((4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
CID 662233
2-(Furan-2-Yl)-N~5~-[3-(4-Phenylpiperazin-1-Yl)propyl][1,2,4]triazolo[1,5-A][1,3,5]triazine-5,7-Diamine
CID 44394688
Butyl 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate
CID 44387827
2-(5-Furan-2-yl-4-m-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-methyl-acetamide
CID 855346
2-[4-(2,3-Dimethyl-phenyl)-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-methyl-acetamide
CID 855347
2-[4-(2,5-Dimethyl-phenyl)-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-methyl-acetamide
CID 855348
N-({[5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N'-methylurea
CID 990336
1-(4-fluorobenzoyl)-N-(2-furylmethyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 1298375
2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 1040306

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 2125675) is N-(furan-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is O=C(NCc1ccco1)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is SZWACQIGHQJETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c25-20(21-14-17-12-7-13-26-17)18-22-19(15-8-3-1-4-9-15)24(23-18)16-10-5-2-6-11-16/h1-13H,14H2,(H,21,25).
What are the key properties of N-(furan-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-(furan-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 2125675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).