3,4-dicyclopropyl-1H-1,2,4-triazol-5-one

C8H11N3O — CID 58460116

IUPAC3,4-dicyclopropyl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(C2CC2)n1C1CC1
InChIInChI=1S/C8H11N3O/c12-8-10-9-7(5-1-2-5)11(8)6-3-4-6/h5-6H,1-4H2,(H,10,12)
InChIKeyYTLBIALCVTZJHG-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.78
Rot. Bonds2

About 3,4-dicyclopropyl-1H-1,2,4-triazol-5-one

3,4-dicyclopropyl-1H-1,2,4-triazol-5-one (PubChem CID 58460116) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3,4-dicyclopropyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3,4-dicyclopropyl-1H-1,2,4-triazol-5-one
PubChem CID58460116
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3,4-dicyclopropyl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(C2CC2)n1C1CC1
InChIInChI=1S/C8H11N3O/c12-8-10-9-7(5-1-2-5)11(8)6-3-4-6/h5-6H,1-4H2,(H,10,12)
InChIKeyYTLBIALCVTZJHG-UHFFFAOYSA-N
XLogP0.78
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-dicyclopropyl-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 3,4-dicyclopropyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3,4-dicyclopropyl-1H-1,2,4-triazol-5-one (CID 58460116) is 3,4-dicyclopropyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3,4-dicyclopropyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3,4-dicyclopropyl-1H-1,2,4-triazol-5-one is O=c1[nH]nc(C2CC2)n1C1CC1.
What is the InChIKey of 3,4-dicyclopropyl-1H-1,2,4-triazol-5-one?
The InChIKey is YTLBIALCVTZJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c12-8-10-9-7(5-1-2-5)11(8)6-3-4-6/h5-6H,1-4H2,(H,10,12).
What are the key properties of 3,4-dicyclopropyl-1H-1,2,4-triazol-5-one?
3,4-dicyclopropyl-1H-1,2,4-triazol-5-one has a molecular weight of 165.20 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dicyclopropyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 58460116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).