4-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-methylbutanamide

C8H15N5O — CID 63891899

IUPAC4-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-methylbutanamide
SMILESCNC(=O)CCCn1cnc(CN)n1
InChIInChI=1S/C8H15N5O/c1-10-8(14)3-2-4-13-6-11-7(5-9)12-13/h6H,2-5,9H2,1H3,(H,10,14)
InChIKeyLPXAWIBAWISDBE-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.74
Rot. Bonds5

About 4-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-methylbutanamide

4-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-methylbutanamide (PubChem CID 63891899) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-methylbutanamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-methylbutanamide
PubChem CID63891899
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name4-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-methylbutanamide
SMILESCNC(=O)CCCn1cnc(CN)n1
InChIInChI=1S/C8H15N5O/c1-10-8(14)3-2-4-13-6-11-7(5-9)12-13/h6H,2-5,9H2,1H3,(H,10,14)
InChIKeyLPXAWIBAWISDBE-UHFFFAOYSA-N
XLogP-0.74
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-methylbutanamide 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 4-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-methylbutanamide?
The IUPAC name of 4-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-methylbutanamide (CID 63891899) is 4-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-methylbutanamide.
What is the SMILES notation for 4-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-methylbutanamide?
The canonical SMILES for 4-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-methylbutanamide is CNC(=O)CCCn1cnc(CN)n1.
What is the InChIKey of 4-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-methylbutanamide?
The InChIKey is LPXAWIBAWISDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-10-8(14)3-2-4-13-6-11-7(5-9)12-13/h6H,2-5,9H2,1H3,(H,10,14).
What are the key properties of 4-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-methylbutanamide?
4-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-methylbutanamide has a molecular weight of 197.24 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-methylbutanamide is sourced from PubChem (CID 63891899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).