N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide

C13H11N5O2 — CID 703016

IUPACN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide
SMILESNc1nc(NC(=O)c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C13H11N5O2/c14-12-16-13(15-11(19)10-7-4-8-20-10)17-18(12)9-5-2-1-3-6-9/h1-8H,(H3,14,15,16,17,19)
InChIKeyRGYKBCNAIBCCGK-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.69
Rot. Bonds3

About N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide

N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide (PubChem CID 703016) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide
PubChem CID703016
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide
SMILESNc1nc(NC(=O)c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C13H11N5O2/c14-12-16-13(15-11(19)10-7-4-8-20-10)17-18(12)9-5-2-1-3-6-9/h1-8H,(H3,14,15,16,17,19)
InChIKeyRGYKBCNAIBCCGK-UHFFFAOYSA-N
XLogP1.69
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-yl)furan-2-carboxamide
CID 660706
N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 649855
N~3~-(2-furylmethyl)-1-phenyl-1H-1,2,4-triazole-3,5-diamine
CID 884997
N-(furan-2-ylmethylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2621198
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]furan-2-carboxamide
CID 16342798
ethyl 3-(5-amino-1-(furan-2-carbonyl)-1H-1,2,4-triazol-3-ylamino)benzoate
CID 52943677
1-(2-fluorophenyl)-N-(furan-2-ylmethyl)tetrazol-5-amine
CID 178305556
N-{2-[(1-phenyl-1H-tetrazol-5-yl)thio]ethyl}-2-furamide
CID 2222270
5-methyl-N-(4-{[4-(1H-1,2,4-triazol-1-yl)butanoyl]amino}phenyl)-2-furamide
CID 50957482
N-{[1-(3,4-Difluorophenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}furan-2-carboxamide
CID 27555010
2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-N-methylfuran-2,5-dicarboxamide
CID 58816303
5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide
CID 58816364

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide?
The IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide (CID 703016) is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide is Nc1nc(NC(=O)c2ccco2)nn1-c1ccccc1.
What is the InChIKey of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide?
The InChIKey is RGYKBCNAIBCCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c14-12-16-13(15-11(19)10-7-4-8-20-10)17-18(12)9-5-2-1-3-6-9/h1-8H,(H3,14,15,16,17,19).
What are the key properties of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide?
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 703016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).