2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide

C11H19N5O — CID 63821463

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide
SMILESCC1(CNC(=O)Cn2cnc(N)n2)CCCC1
InChIInChI=1S/C11H19N5O/c1-11(4-2-3-5-11)7-13-9(17)6-16-8-14-10(12)15-16/h8H,2-7H2,1H3,(H2,12,15)(H,13,17)
InChIKeyNGUGLNSZTAZEEK-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.56
Rot. Bonds4

About 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide (PubChem CID 63821463) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide
PubChem CID63821463
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide
SMILESCC1(CNC(=O)Cn2cnc(N)n2)CCCC1
InChIInChI=1S/C11H19N5O/c1-11(4-2-3-5-11)7-13-9(17)6-16-8-14-10(12)15-16/h8H,2-7H2,1H3,(H2,12,15)(H,13,17)
InChIKeyNGUGLNSZTAZEEK-UHFFFAOYSA-N
XLogP0.56
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide 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-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide (CID 63821463) is 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide is CC1(CNC(=O)Cn2cnc(N)n2)CCCC1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide?
The InChIKey is NGUGLNSZTAZEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-11(4-2-3-5-11)7-13-9(17)6-16-8-14-10(12)15-16/h8H,2-7H2,1H3,(H2,12,15)(H,13,17).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide has a molecular weight of 237.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide is sourced from PubChem (CID 63821463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).