2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide

C13H16N4O3 — CID 80742697

IUPAC2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(C(C)O)nn2)cc1
InChIInChI=1S/C13H16N4O3/c1-9(18)12-7-17(16-15-12)8-13(19)14-10-3-5-11(20-2)6-4-10/h3-7,9,18H,8H2,1-2H3,(H,14,19)
InChIKeyZITPCKNGKQJBIK-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.98
Rot. Bonds5

About 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide

2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 80742697) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID80742697
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(C(C)O)nn2)cc1
InChIInChI=1S/C13H16N4O3/c1-9(18)12-7-17(16-15-12)8-13(19)14-10-3-5-11(20-2)6-4-10/h3-7,9,18H,8H2,1-2H3,(H,14,19)
InChIKeyZITPCKNGKQJBIK-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

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Related Compounds

2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-nitrophenyl)acetamide
CID 81436112
2-[1-[2-(4-methoxyanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461336
methyl N-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]carbamate
CID 81443796
methyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate
CID 95721059
N-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
CID 80742856
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 80735511
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 80742702
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide
CID 81444598
N-(2-ethyl-6-methylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
CID 80735512
N-[4-[(7-fluoro-5-methoxyquinazolin-4-yl)amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
CID 135367200
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide
CID 80744115
2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 60911192

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide (CID 80742697) is 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2cc(C(C)O)nn2)cc1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is ZITPCKNGKQJBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-9(18)12-7-17(16-15-12)8-13(19)14-10-3-5-11(20-2)6-4-10/h3-7,9,18H,8H2,1-2H3,(H,14,19).
What are the key properties of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide 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-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 80742697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).