5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide

C13H10N4O2 — CID 169402380

IUPAC5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cccc(-c2ccco2)c1
InChIInChI=1S/C13H10N4O2/c14-13(18)12-11(15-17-16-12)9-4-1-3-8(7-9)10-5-2-6-19-10/h1-7H,(H2,14,18)(H,15,16,17)
InChIKeyOPFYDBDRRSNKQA-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.83
Rot. Bonds3

About 5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide

5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169402380) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide
PubChem CID169402380
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cccc(-c2ccco2)c1
InChIInChI=1S/C13H10N4O2/c14-13(18)12-11(15-17-16-12)9-4-1-3-8(7-9)10-5-2-6-19-10/h1-7H,(H2,14,18)(H,15,16,17)
InChIKeyOPFYDBDRRSNKQA-UHFFFAOYSA-N
XLogP1.83
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402846
5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-triazole-4-carboxamide
CID 169404665
5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169403261
5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403649
5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403109
5-[3-(3-fluoro-4-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169403048
ethyl 5-[3-(furan-2-carbonyloxy)phenyl]-2H-triazole-4-carboxylate
CID 169400748
5-[3-(azepan-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402644
5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402317
5-(2,2-dimethylchromen-6-yl)-2H-triazole-4-carboxamide
CID 169404378
5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide
CID 169402046
5-(3-bromo-4-methylphenyl)-2H-triazole-4-carboxamide
CID 169402148

Frequently Asked Questions

What is the IUPAC name of 5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide (CID 169402380) is 5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1cccc(-c2ccco2)c1.
What is the InChIKey of 5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is OPFYDBDRRSNKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-13(18)12-11(15-17-16-12)9-4-1-3-8(7-9)10-5-2-6-19-10/h1-7H,(H2,14,18)(H,15,16,17).
What are the key properties of 5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide?
5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).