2-methyl-N-[3-(2-methylpropyl)triazol-4-yl]propanamide

C10H18N4O — CID 137470675

IUPAC2-methyl-N-[3-(2-methylpropyl)triazol-4-yl]propanamide
SMILESCC(C)Cn1nncc1NC(=O)C(C)C
InChIInChI=1S/C10H18N4O/c1-7(2)6-14-9(5-11-13-14)12-10(15)8(3)4/h5,7-8H,6H2,1-4H3,(H,12,15)
InChIKeyHQZKJAWDABRFKX-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.53
Rot. Bonds4

About 2-methyl-N-[3-(2-methylpropyl)triazol-4-yl]propanamide

2-methyl-N-[3-(2-methylpropyl)triazol-4-yl]propanamide (PubChem CID 137470675) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-methylpropyl)triazol-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2-methylpropyl)triazol-4-yl]propanamide
PubChem CID137470675
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-methyl-N-[3-(2-methylpropyl)triazol-4-yl]propanamide
SMILESCC(C)Cn1nncc1NC(=O)C(C)C
InChIInChI=1S/C10H18N4O/c1-7(2)6-14-9(5-11-13-14)12-10(15)8(3)4/h5,7-8H,6H2,1-4H3,(H,12,15)
InChIKeyHQZKJAWDABRFKX-UHFFFAOYSA-N
XLogP1.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[3-(2-methylpropyl)triazol-4-yl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-methylpropyl)triazol-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[3-(2-methylpropyl)triazol-4-yl]propanamide (CID 137470675) is 2-methyl-N-[3-(2-methylpropyl)triazol-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(2-methylpropyl)triazol-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(2-methylpropyl)triazol-4-yl]propanamide is CC(C)Cn1nncc1NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[3-(2-methylpropyl)triazol-4-yl]propanamide?
The InChIKey is HQZKJAWDABRFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)6-14-9(5-11-13-14)12-10(15)8(3)4/h5,7-8H,6H2,1-4H3,(H,12,15).
What are the key properties of 2-methyl-N-[3-(2-methylpropyl)triazol-4-yl]propanamide?
2-methyl-N-[3-(2-methylpropyl)triazol-4-yl]propanamide has a molecular weight of 210.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-methylpropyl)triazol-4-yl]propanamide is sourced from PubChem (CID 137470675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).