2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]butanamide

C16H23N5O2 — CID 121116005

IUPAC2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCn1nc(-c2ccccn2)n(C)c1=O
InChIInChI=1S/C16H23N5O2/c1-4-12(5-2)15(22)18-10-11-21-16(23)20(3)14(19-21)13-8-6-7-9-17-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,22)
InChIKeyVBXHEDJOMWVWLQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.20
Rot. Bonds7

About 2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]butanamide

2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]butanamide (PubChem CID 121116005) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]butanamide
PubChem CID121116005
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCn1nc(-c2ccccn2)n(C)c1=O
InChIInChI=1S/C16H23N5O2/c1-4-12(5-2)15(22)18-10-11-21-16(23)20(3)14(19-21)13-8-6-7-9-17-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,22)
InChIKeyVBXHEDJOMWVWLQ-UHFFFAOYSA-N
XLogP1.20
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]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 2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]butanamide (CID 121116005) is 2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]butanamide is CCC(CC)C(=O)NCCn1nc(-c2ccccn2)n(C)c1=O.
What is the InChIKey of 2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]butanamide?
The InChIKey is VBXHEDJOMWVWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-12(5-2)15(22)18-10-11-21-16(23)20(3)14(19-21)13-8-6-7-9-17-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,22).
What are the key properties of 2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]butanamide?
2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]butanamide has a molecular weight of 317.39 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]butanamide is sourced from PubChem (CID 121116005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).