3-(aminomethyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one

C6H10N4O — CID 81488666

IUPAC3-(aminomethyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one
SMILESNCc1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C6H10N4O/c7-3-5-8-9-6(11)10(5)4-1-2-4/h4H,1-3,7H2,(H,9,11)
InChIKeyZPJGIEZTWFCEJF-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.63
Rot. Bonds2

About 3-(aminomethyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one

3-(aminomethyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one (PubChem CID 81488666) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-(aminomethyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(aminomethyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one
PubChem CID81488666
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name3-(aminomethyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one
SMILESNCc1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C6H10N4O/c7-3-5-8-9-6(11)10(5)4-1-2-4/h4H,1-3,7H2,(H,9,11)
InChIKeyZPJGIEZTWFCEJF-UHFFFAOYSA-N
XLogP-0.63
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one 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-(aminomethyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(aminomethyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one (CID 81488666) is 3-(aminomethyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(aminomethyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(aminomethyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one is NCc1n[nH]c(=O)n1C1CC1.
What is the InChIKey of 3-(aminomethyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one?
The InChIKey is ZPJGIEZTWFCEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c7-3-5-8-9-6(11)10(5)4-1-2-4/h4H,1-3,7H2,(H,9,11).
What are the key properties of 3-(aminomethyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one?
3-(aminomethyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one has a molecular weight of 154.17 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 81488666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).