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

C6H10N4O — CID 3617989

IUPAC2-methyl-N-(1,2,4-triazol-4-yl)propanamide
SMILESCC(C)C(=O)Nn1cnnc1
InChIInChI=1S/C6H10N4O/c1-5(2)6(11)9-10-3-7-8-4-10/h3-5H,1-2H3,(H,9,11)
InChIKeyXFTSBHXLJDIMSU-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.00
Rot. Bonds2

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

2-methyl-N-(1,2,4-triazol-4-yl)propanamide (PubChem CID 3617989) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-methyl-N-(1,2,4-triazol-4-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(1,2,4-triazol-4-yl)propanamide
PubChem CID3617989
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name2-methyl-N-(1,2,4-triazol-4-yl)propanamide
SMILESCC(C)C(=O)Nn1cnnc1
InChIInChI=1S/C6H10N4O/c1-5(2)6(11)9-10-3-7-8-4-10/h3-5H,1-2H3,(H,9,11)
InChIKeyXFTSBHXLJDIMSU-UHFFFAOYSA-N
XLogP0.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-(1,2,4-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-(1,2,4-triazol-4-yl)propanamide?
The IUPAC name of 2-methyl-N-(1,2,4-triazol-4-yl)propanamide (CID 3617989) is 2-methyl-N-(1,2,4-triazol-4-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(1,2,4-triazol-4-yl)propanamide?
The canonical SMILES for 2-methyl-N-(1,2,4-triazol-4-yl)propanamide is CC(C)C(=O)Nn1cnnc1.
What is the InChIKey of 2-methyl-N-(1,2,4-triazol-4-yl)propanamide?
The InChIKey is XFTSBHXLJDIMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-5(2)6(11)9-10-3-7-8-4-10/h3-5H,1-2H3,(H,9,11).
What are the key properties of 2-methyl-N-(1,2,4-triazol-4-yl)propanamide?
2-methyl-N-(1,2,4-triazol-4-yl)propanamide has a molecular weight of 154.17 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,4-triazol-4-yl)propanamide is sourced from PubChem (CID 3617989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).