5-butyl-1-propan-2-yl-4-propyltriazole

C12H23N3 — CID 69388505

IUPAC5-butyl-1-propan-2-yl-4-propyltriazole
SMILESCCCCc1c(CCC)nnn1C(C)C
InChIInChI=1S/C12H23N3/c1-5-7-9-12-11(8-6-2)13-14-15(12)10(3)4/h10H,5-9H2,1-4H3
InChIKeyVKBCZRAASWOJJU-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.15
Rot. Bonds6

About 5-butyl-1-propan-2-yl-4-propyltriazole

5-butyl-1-propan-2-yl-4-propyltriazole (PubChem CID 69388505) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 5-butyl-1-propan-2-yl-4-propyltriazole.

Molecular Properties

Compound Name5-butyl-1-propan-2-yl-4-propyltriazole
PubChem CID69388505
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name5-butyl-1-propan-2-yl-4-propyltriazole
SMILESCCCCc1c(CCC)nnn1C(C)C
InChIInChI=1S/C12H23N3/c1-5-7-9-12-11(8-6-2)13-14-15(12)10(3)4/h10H,5-9H2,1-4H3
InChIKeyVKBCZRAASWOJJU-UHFFFAOYSA-N
XLogP3.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-butyl-1-propan-2-yl-4-propyltriazole 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-butyl-1-propan-2-yl-4-propyltriazole?
The IUPAC name of 5-butyl-1-propan-2-yl-4-propyltriazole (CID 69388505) is 5-butyl-1-propan-2-yl-4-propyltriazole.
What is the SMILES notation for 5-butyl-1-propan-2-yl-4-propyltriazole?
The canonical SMILES for 5-butyl-1-propan-2-yl-4-propyltriazole is CCCCc1c(CCC)nnn1C(C)C.
What is the InChIKey of 5-butyl-1-propan-2-yl-4-propyltriazole?
The InChIKey is VKBCZRAASWOJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-7-9-12-11(8-6-2)13-14-15(12)10(3)4/h10H,5-9H2,1-4H3.
What are the key properties of 5-butyl-1-propan-2-yl-4-propyltriazole?
5-butyl-1-propan-2-yl-4-propyltriazole has a molecular weight of 209.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-propan-2-yl-4-propyltriazole is sourced from PubChem (CID 69388505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).