2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide

C12H21N5O3 — CID 81444411

IUPAC2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)Cn1cc(C(C)O)nn1
InChIInChI=1S/C12H21N5O3/c1-8(2)4-5-13-12(20)14-11(19)7-17-6-10(9(3)18)15-16-17/h6,8-9,18H,4-5,7H2,1-3H3,(H2,13,14,19,20)
InChIKeyJDIVFVBCOSECJY-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.20
Rot. Bonds6

About 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide

2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide (PubChem CID 81444411) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
PubChem CID81444411
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)Cn1cc(C(C)O)nn1
InChIInChI=1S/C12H21N5O3/c1-8(2)4-5-13-12(20)14-11(19)7-17-6-10(9(3)18)15-16-17/h6,8-9,18H,4-5,7H2,1-3H3,(H2,13,14,19,20)
InChIKeyJDIVFVBCOSECJY-UHFFFAOYSA-N
XLogP0.20
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide 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-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide
CID 80744115
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide
CID 81444598
2-(4-formyltriazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 66213760
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 62401323
methyl 1-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate
CID 103107669
methyl N-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]carbamate
CID 81443796
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 106227951
methyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate
CID 95721059
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 80742697
N-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]furan-2-carboxamide
CID 81444763
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2-phenylsulfanylethyl)acetamide
CID 80743458
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 80735511

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide (CID 81444411) is 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide is CC(C)CCNC(=O)NC(=O)Cn1cc(C(C)O)nn1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide?
The InChIKey is JDIVFVBCOSECJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-8(2)4-5-13-12(20)14-11(19)7-17-6-10(9(3)18)15-16-17/h6,8-9,18H,4-5,7H2,1-3H3,(H2,13,14,19,20).
What are the key properties of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide?
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide has a molecular weight of 283.33 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 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-(3-methylbutylcarbamoyl)acetamide is sourced from PubChem (CID 81444411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).