5-(5-cyclopropyl-2-hydroxyphenyl)-2H-triazole-4-carboxamide

C12H12N4O2 — CID 169404504

IUPAC5-(5-cyclopropyl-2-hydroxyphenyl)-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cc(C2CC2)ccc1O
InChIInChI=1S/C12H12N4O2/c13-12(18)11-10(14-16-15-11)8-5-7(6-1-2-6)3-4-9(8)17/h3-6,17H,1-2H2,(H2,13,18)(H,14,15,16)
InChIKeyICDOETODMUESAE-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.15
Rot. Bonds3

About 5-(5-cyclopropyl-2-hydroxyphenyl)-2H-triazole-4-carboxamide

5-(5-cyclopropyl-2-hydroxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 169404504) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-(5-cyclopropyl-2-hydroxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(5-cyclopropyl-2-hydroxyphenyl)-2H-triazole-4-carboxamide
PubChem CID169404504
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name5-(5-cyclopropyl-2-hydroxyphenyl)-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cc(C2CC2)ccc1O
InChIInChI=1S/C12H12N4O2/c13-12(18)11-10(14-16-15-11)8-5-7(6-1-2-6)3-4-9(8)17/h3-6,17H,1-2H2,(H2,13,18)(H,14,15,16)
InChIKeyICDOETODMUESAE-UHFFFAOYSA-N
XLogP1.15
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-hydroxy-5-nitrophenyl)-2H-triazole-4-carboxamide
CID 169401954
5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169403137
5-(2,4,5-trifluorophenyl)-2H-triazole-4-carboxamide
CID 169402152
5-(4,5-dihydroxy-2-nitrophenyl)-2H-triazole-4-carboxamide
CID 169402791
5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402317
5-[2-(oxan-4-yloxy)phenyl]-2H-triazole-4-carboxamide
CID 169404622
5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid
CID 135478439
methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate
CID 169402146
5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402286
5-(3-bromo-4-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169404863
5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide
CID 169402107
5-[2-fluoro-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169402280

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-2-hydroxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(5-cyclopropyl-2-hydroxyphenyl)-2H-triazole-4-carboxamide (CID 169404504) is 5-(5-cyclopropyl-2-hydroxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(5-cyclopropyl-2-hydroxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(5-cyclopropyl-2-hydroxyphenyl)-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1cc(C2CC2)ccc1O.
What is the InChIKey of 5-(5-cyclopropyl-2-hydroxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is ICDOETODMUESAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-12(18)11-10(14-16-15-11)8-5-7(6-1-2-6)3-4-9(8)17/h3-6,17H,1-2H2,(H2,13,18)(H,14,15,16).
What are the key properties of 5-(5-cyclopropyl-2-hydroxyphenyl)-2H-triazole-4-carboxamide?
5-(5-cyclopropyl-2-hydroxyphenyl)-2H-triazole-4-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-2-hydroxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169404504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).