1-butyl-3-cyclopropyl-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole

C14H22N6 — CID 72917669

IUPAC1-butyl-3-cyclopropyl-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole
SMILESCCCCn1nc(C2CC2)nc1CCCn1cncn1
InChIInChI=1S/C14H22N6/c1-2-3-9-20-13(17-14(18-20)12-6-7-12)5-4-8-19-11-15-10-16-19/h10-12H,2-9H2,1H3
InChIKeyPVAWOPBLJLZSPM-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.18
Rot. Bonds8

About 1-butyl-3-cyclopropyl-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole

1-butyl-3-cyclopropyl-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole (PubChem CID 72917669) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-butyl-3-cyclopropyl-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-butyl-3-cyclopropyl-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole
PubChem CID72917669
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name1-butyl-3-cyclopropyl-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole
SMILESCCCCn1nc(C2CC2)nc1CCCn1cncn1
InChIInChI=1S/C14H22N6/c1-2-3-9-20-13(17-14(18-20)12-6-7-12)5-4-8-19-11-15-10-16-19/h10-12H,2-9H2,1H3
InChIKeyPVAWOPBLJLZSPM-UHFFFAOYSA-N
XLogP2.18
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-butyl-3-cyclopropyl-5-[3-(1,2,4-triazol-1-yl)propyl]-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 1-butyl-3-cyclopropyl-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole?
The IUPAC name of 1-butyl-3-cyclopropyl-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole (CID 72917669) is 1-butyl-3-cyclopropyl-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole.
What is the SMILES notation for 1-butyl-3-cyclopropyl-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole?
The canonical SMILES for 1-butyl-3-cyclopropyl-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole is CCCCn1nc(C2CC2)nc1CCCn1cncn1.
What is the InChIKey of 1-butyl-3-cyclopropyl-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole?
The InChIKey is PVAWOPBLJLZSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-2-3-9-20-13(17-14(18-20)12-6-7-12)5-4-8-19-11-15-10-16-19/h10-12H,2-9H2,1H3.
What are the key properties of 1-butyl-3-cyclopropyl-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole?
1-butyl-3-cyclopropyl-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole has a molecular weight of 274.37 g/mol, XLogP of 2.18, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-cyclopropyl-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole is sourced from PubChem (CID 72917669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).