2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide

C13H16N4O3 — CID 82202035

IUPAC2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)n1cc(CO)nn1
InChIInChI=1S/C13H16N4O3/c1-9(17-7-10(8-18)15-16-17)13(19)14-11-5-3-4-6-12(11)20-2/h3-7,9,18H,8H2,1-2H3,(H,14,19)
InChIKeyVKPNDZHZXZJICF-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.98
Rot. Bonds5

About 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide

2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide (PubChem CID 82202035) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide
PubChem CID82202035
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)n1cc(CO)nn1
InChIInChI=1S/C13H16N4O3/c1-9(17-7-10(8-18)15-16-17)13(19)14-11-5-3-4-6-12(11)20-2/h3-7,9,18H,8H2,1-2H3,(H,14,19)
InChIKeyVKPNDZHZXZJICF-UHFFFAOYSA-N
XLogP0.98
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 62399584
2-(4-cyano-5-methyltriazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 82202032
3-[1-(2-methoxyanilino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 82194764
(2S)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
CID 124938361
(2R)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
CID 124938362
2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 2787226
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
CID 82114035
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 111543811
2-(carbamoylamino)-N-(2-methoxyphenyl)propanamide
CID 47097666
2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide
CID 134349346

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide (CID 82202035) is 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C)n1cc(CO)nn1.
What is the InChIKey of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is VKPNDZHZXZJICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-9(17-7-10(8-18)15-16-17)13(19)14-11-5-3-4-6-12(11)20-2/h3-7,9,18H,8H2,1-2H3,(H,14,19).
What are the key properties of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide?
2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 276.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 82202035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).