3-cyclobutyl-4-propan-2-yl-1,2,4-triazole

C9H15N3 — CID 115393971

IUPAC3-cyclobutyl-4-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1cnnc1C1CCC1
InChIInChI=1S/C9H15N3/c1-7(2)12-6-10-11-9(12)8-4-3-5-8/h6-8H,3-5H2,1-2H3
InChIKeyMSDJMIOUIFCMSR-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.13
Rot. Bonds2

About 3-cyclobutyl-4-propan-2-yl-1,2,4-triazole

3-cyclobutyl-4-propan-2-yl-1,2,4-triazole (PubChem CID 115393971) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-cyclobutyl-4-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclobutyl-4-propan-2-yl-1,2,4-triazole
PubChem CID115393971
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-cyclobutyl-4-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1cnnc1C1CCC1
InChIInChI=1S/C9H15N3/c1-7(2)12-6-10-11-9(12)8-4-3-5-8/h6-8H,3-5H2,1-2H3
InChIKeyMSDJMIOUIFCMSR-UHFFFAOYSA-N
XLogP2.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyclobutyl-4-propan-2-yl-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 3-cyclobutyl-4-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-cyclobutyl-4-propan-2-yl-1,2,4-triazole (CID 115393971) is 3-cyclobutyl-4-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-cyclobutyl-4-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-cyclobutyl-4-propan-2-yl-1,2,4-triazole is CC(C)n1cnnc1C1CCC1.
What is the InChIKey of 3-cyclobutyl-4-propan-2-yl-1,2,4-triazole?
The InChIKey is MSDJMIOUIFCMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7(2)12-6-10-11-9(12)8-4-3-5-8/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-cyclobutyl-4-propan-2-yl-1,2,4-triazole?
3-cyclobutyl-4-propan-2-yl-1,2,4-triazole has a molecular weight of 165.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 115393971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).