5-cyclopropyl-3-ethyl-1-methyl-1,2,4-triazole

C8H13N3 — CID 89019047

IUPAC5-cyclopropyl-3-ethyl-1-methyl-1,2,4-triazole
SMILESCCc1nc(C2CC2)n(C)n1
InChIInChI=1S/C8H13N3/c1-3-7-9-8(6-4-5-6)11(2)10-7/h6H,3-5H2,1-2H3
InChIKeyBQQCGAPXCQJLHN-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.25
Rot. Bonds2

About 5-cyclopropyl-3-ethyl-1-methyl-1,2,4-triazole

5-cyclopropyl-3-ethyl-1-methyl-1,2,4-triazole (PubChem CID 89019047) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-cyclopropyl-3-ethyl-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopropyl-3-ethyl-1-methyl-1,2,4-triazole
PubChem CID89019047
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-cyclopropyl-3-ethyl-1-methyl-1,2,4-triazole
SMILESCCc1nc(C2CC2)n(C)n1
InChIInChI=1S/C8H13N3/c1-3-7-9-8(6-4-5-6)11(2)10-7/h6H,3-5H2,1-2H3
InChIKeyBQQCGAPXCQJLHN-UHFFFAOYSA-N
XLogP1.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-cyclopropyl-3-ethyl-1-methyl-1,2,4-triazole 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 5-cyclopropyl-3-ethyl-1-methyl-1,2,4-triazole?
The IUPAC name of 5-cyclopropyl-3-ethyl-1-methyl-1,2,4-triazole (CID 89019047) is 5-cyclopropyl-3-ethyl-1-methyl-1,2,4-triazole.
What is the SMILES notation for 5-cyclopropyl-3-ethyl-1-methyl-1,2,4-triazole?
The canonical SMILES for 5-cyclopropyl-3-ethyl-1-methyl-1,2,4-triazole is CCc1nc(C2CC2)n(C)n1.
What is the InChIKey of 5-cyclopropyl-3-ethyl-1-methyl-1,2,4-triazole?
The InChIKey is BQQCGAPXCQJLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-7-9-8(6-4-5-6)11(2)10-7/h6H,3-5H2,1-2H3.
What are the key properties of 5-cyclopropyl-3-ethyl-1-methyl-1,2,4-triazole?
5-cyclopropyl-3-ethyl-1-methyl-1,2,4-triazole has a molecular weight of 151.21 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-ethyl-1-methyl-1,2,4-triazole is sourced from PubChem (CID 89019047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).