2-methyl-N-(1-methyltriazol-4-yl)propanamide

C7H12N4O — CID 112535394

IUPAC2-methyl-N-(1-methyltriazol-4-yl)propanamide
SMILESCC(C)C(=O)Nc1cn(C)nn1
InChIInChI=1S/C7H12N4O/c1-5(2)7(12)8-6-4-11(3)10-9-6/h4-5H,1-3H3,(H,8,12)
InChIKeyCQSVOKOTLJHGHP-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.41
Rot. Bonds2

About 2-methyl-N-(1-methyltriazol-4-yl)propanamide

2-methyl-N-(1-methyltriazol-4-yl)propanamide (PubChem CID 112535394) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-methyl-N-(1-methyltriazol-4-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(1-methyltriazol-4-yl)propanamide
PubChem CID112535394
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-methyl-N-(1-methyltriazol-4-yl)propanamide
SMILESCC(C)C(=O)Nc1cn(C)nn1
InChIInChI=1S/C7H12N4O/c1-5(2)7(12)8-6-4-11(3)10-9-6/h4-5H,1-3H3,(H,8,12)
InChIKeyCQSVOKOTLJHGHP-UHFFFAOYSA-N
XLogP0.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methyltriazol-4-yl)propanamide?
The IUPAC name of 2-methyl-N-(1-methyltriazol-4-yl)propanamide (CID 112535394) is 2-methyl-N-(1-methyltriazol-4-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(1-methyltriazol-4-yl)propanamide?
The canonical SMILES for 2-methyl-N-(1-methyltriazol-4-yl)propanamide is CC(C)C(=O)Nc1cn(C)nn1.
What is the InChIKey of 2-methyl-N-(1-methyltriazol-4-yl)propanamide?
The InChIKey is CQSVOKOTLJHGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5(2)7(12)8-6-4-11(3)10-9-6/h4-5H,1-3H3,(H,8,12).
What are the key properties of 2-methyl-N-(1-methyltriazol-4-yl)propanamide?
2-methyl-N-(1-methyltriazol-4-yl)propanamide has a molecular weight of 168.20 g/mol, XLogP of 0.41, 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-methyltriazol-4-yl)propanamide is sourced from PubChem (CID 112535394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).