N-(4-hydroxyphenyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide

C12H14N4O2 — CID 28788947

IUPACN-(4-hydroxyphenyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCN(C(=O)CCn1cncn1)c1ccc(O)cc1
InChIInChI=1S/C12H14N4O2/c1-15(10-2-4-11(17)5-3-10)12(18)6-7-16-9-13-8-14-16/h2-5,8-9,17H,6-7H2,1H3
InChIKeyRZRYHIYYRIGOHZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.04
Rot. Bonds4

About N-(4-hydroxyphenyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide

N-(4-hydroxyphenyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 28788947) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID28788947
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(4-hydroxyphenyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCN(C(=O)CCn1cncn1)c1ccc(O)cc1
InChIInChI=1S/C12H14N4O2/c1-15(10-2-4-11(17)5-3-10)12(18)6-7-16-9-13-8-14-16/h2-5,8-9,17H,6-7H2,1H3
InChIKeyRZRYHIYYRIGOHZ-UHFFFAOYSA-N
XLogP1.04
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 54913567
N-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 62334205
N-[4-[(2S)-butan-2-yl]-1,3-thiazol-2-yl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 95237231
5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide
CID 107734249
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 134036565
N-(3-amino-4-methylpentyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride
CID 119657366
methyl 3-(1,2,4-triazol-1-yl)propanoate;hydrochloride
CID 51051880
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 39976237
2-[2-methylpropyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid
CID 55148204
N-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide
CID 62716161
N-propyl-N-prop-2-ynyl-3-(1,2,4-triazol-1-yl)propanamide
CID 78970605
N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]carbamoyl chloride
CID 131847612

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(4-hydroxyphenyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide (CID 28788947) is N-(4-hydroxyphenyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide is CN(C(=O)CCn1cncn1)c1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is RZRYHIYYRIGOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-15(10-2-4-11(17)5-3-10)12(18)6-7-16-9-13-8-14-16/h2-5,8-9,17H,6-7H2,1H3.
What are the key properties of N-(4-hydroxyphenyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
N-(4-hydroxyphenyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 246.27 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 28788947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).