3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide

C13H17N5O — CID 121197969

IUPAC3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide
SMILESCC(C)CC(=O)NCc1cn(-c2cccnc2)nn1
InChIInChI=1S/C13H17N5O/c1-10(2)6-13(19)15-7-11-9-18(17-16-11)12-4-3-5-14-8-12/h3-5,8-10H,6-7H2,1-2H3,(H,15,19)
InChIKeyOCSFCOLJHZVTJP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.32
Rot. Bonds5

About 3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide

3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide (PubChem CID 121197969) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide
PubChem CID121197969
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide
SMILESCC(C)CC(=O)NCc1cn(-c2cccnc2)nn1
InChIInChI=1S/C13H17N5O/c1-10(2)6-13(19)15-7-11-9-18(17-16-11)12-4-3-5-14-8-12/h3-5,8-10H,6-7H2,1-2H3,(H,15,19)
InChIKeyOCSFCOLJHZVTJP-UHFFFAOYSA-N
XLogP1.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide 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 3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide?
The IUPAC name of 3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide (CID 121197969) is 3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide.
What is the SMILES notation for 3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide?
The canonical SMILES for 3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide is CC(C)CC(=O)NCc1cn(-c2cccnc2)nn1.
What is the InChIKey of 3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide?
The InChIKey is OCSFCOLJHZVTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10(2)6-13(19)15-7-11-9-18(17-16-11)12-4-3-5-14-8-12/h3-5,8-10H,6-7H2,1-2H3,(H,15,19).
What are the key properties of 3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide?
3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide has a molecular weight of 259.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide is sourced from PubChem (CID 121197969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).