5-(2-hydroxy-3-propan-2-ylphenyl)-2H-triazole-4-carboxamide

C12H14N4O2 — CID 169404898

IUPAC5-(2-hydroxy-3-propan-2-ylphenyl)-2H-triazole-4-carboxamide
SMILESCC(C)c1cccc(-c2n[nH]nc2C(N)=O)c1O
InChIInChI=1S/C12H14N4O2/c1-6(2)7-4-3-5-8(11(7)17)9-10(12(13)18)15-16-14-9/h3-6,17H,1-2H3,(H2,13,18)(H,14,15,16)
InChIKeyWBFVMLPQUSJJHL-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.40
Rot. Bonds3

About 5-(2-hydroxy-3-propan-2-ylphenyl)-2H-triazole-4-carboxamide

5-(2-hydroxy-3-propan-2-ylphenyl)-2H-triazole-4-carboxamide (PubChem CID 169404898) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(2-hydroxy-3-propan-2-ylphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-hydroxy-3-propan-2-ylphenyl)-2H-triazole-4-carboxamide
PubChem CID169404898
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-(2-hydroxy-3-propan-2-ylphenyl)-2H-triazole-4-carboxamide
SMILESCC(C)c1cccc(-c2n[nH]nc2C(N)=O)c1O
InChIInChI=1S/C12H14N4O2/c1-6(2)7-4-3-5-8(11(7)17)9-10(12(13)18)15-16-14-9/h3-6,17H,1-2H3,(H2,13,18)(H,14,15,16)
InChIKeyWBFVMLPQUSJJHL-UHFFFAOYSA-N
XLogP1.40
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-bromo-6-(5-carbamoyl-2H-triazol-4-yl)benzoate
CID 169404868
5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169403137
5-[2-bromo-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169404858
5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402878
5-[2-(3-cyanopropoxy)-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403937
5-[2-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403078
5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid
CID 135478439
5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169404852
2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol
CID 157481244
5-(2,4,5-trifluorophenyl)-2H-triazole-4-carboxamide
CID 169402152
5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402321
5-[2-(pentoxymethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402571

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-3-propan-2-ylphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(2-hydroxy-3-propan-2-ylphenyl)-2H-triazole-4-carboxamide (CID 169404898) is 5-(2-hydroxy-3-propan-2-ylphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(2-hydroxy-3-propan-2-ylphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(2-hydroxy-3-propan-2-ylphenyl)-2H-triazole-4-carboxamide is CC(C)c1cccc(-c2n[nH]nc2C(N)=O)c1O.
What is the InChIKey of 5-(2-hydroxy-3-propan-2-ylphenyl)-2H-triazole-4-carboxamide?
The InChIKey is WBFVMLPQUSJJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-6(2)7-4-3-5-8(11(7)17)9-10(12(13)18)15-16-14-9/h3-6,17H,1-2H3,(H2,13,18)(H,14,15,16).
What are the key properties of 5-(2-hydroxy-3-propan-2-ylphenyl)-2H-triazole-4-carboxamide?
5-(2-hydroxy-3-propan-2-ylphenyl)-2H-triazole-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-3-propan-2-ylphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169404898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).