N-(2-hydroxypropyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

C13H16N4O2 — CID 110020251

IUPACN-(2-hydroxypropyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCC(O)CNC(=O)c1ccc(-c2ncn(C)n2)cc1
InChIInChI=1S/C13H16N4O2/c1-9(18)7-14-13(19)11-5-3-10(4-6-11)12-15-8-17(2)16-12/h3-6,8-9,18H,7H2,1-2H3,(H,14,19)
InChIKeyQWJPKFMVLIUDKR-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.59
Rot. Bonds4

About N-(2-hydroxypropyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

N-(2-hydroxypropyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 110020251) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID110020251
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(2-hydroxypropyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCC(O)CNC(=O)c1ccc(-c2ncn(C)n2)cc1
InChIInChI=1S/C13H16N4O2/c1-9(18)7-14-13(19)11-5-3-10(4-6-11)12-15-8-17(2)16-12/h3-6,8-9,18H,7H2,1-2H3,(H,14,19)
InChIKeyQWJPKFMVLIUDKR-UHFFFAOYSA-N
XLogP0.59
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021591
N-(2-hydroxy-2-pyridin-4-ylethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021673
N-[2-hydroxy-2-(3-methylphenyl)ethyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021549
N-(2,2-diethyl-4-hydroxybutyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021503
N-(2-hydroxypropyl)-4-phenylbenzamide
CID 43391038
4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
CID 83059637
N-[(2R)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 83031410
N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide
CID 103884663
4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide
CID 15608280
N-[(2S)-2-hydroxypropyl]-2-methylpyridine-4-carboxamide
CID 106753450
6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450
N-[2-(hydroxymethyl)cyclohexyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021776

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-(2-hydroxypropyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (CID 110020251) is N-(2-hydroxypropyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-(2-hydroxypropyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-(2-hydroxypropyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is CC(O)CNC(=O)c1ccc(-c2ncn(C)n2)cc1.
What is the InChIKey of N-(2-hydroxypropyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is QWJPKFMVLIUDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(18)7-14-13(19)11-5-3-10(4-6-11)12-15-8-17(2)16-12/h3-6,8-9,18H,7H2,1-2H3,(H,14,19).
What are the key properties of N-(2-hydroxypropyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
N-(2-hydroxypropyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 260.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 110020251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).