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

C8H15N3 — CID 89080702

IUPAC3-propan-2-yl-1-propyl-1,2,4-triazole
SMILESCCCn1cnc(C(C)C)n1
InChIInChI=1S/C8H15N3/c1-4-5-11-6-9-8(10-11)7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyDGJNILYONFUBFS-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.81
Rot. Bonds3

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

3-propan-2-yl-1-propyl-1,2,4-triazole (PubChem CID 89080702) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-propan-2-yl-1-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-propan-2-yl-1-propyl-1,2,4-triazole
PubChem CID89080702
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-propan-2-yl-1-propyl-1,2,4-triazole
SMILESCCCn1cnc(C(C)C)n1
InChIInChI=1S/C8H15N3/c1-4-5-11-6-9-8(10-11)7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyDGJNILYONFUBFS-UHFFFAOYSA-N
XLogP1.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-propan-2-yl-1-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 3-propan-2-yl-1-propyl-1,2,4-triazole?
The IUPAC name of 3-propan-2-yl-1-propyl-1,2,4-triazole (CID 89080702) is 3-propan-2-yl-1-propyl-1,2,4-triazole.
What is the SMILES notation for 3-propan-2-yl-1-propyl-1,2,4-triazole?
The canonical SMILES for 3-propan-2-yl-1-propyl-1,2,4-triazole is CCCn1cnc(C(C)C)n1.
What is the InChIKey of 3-propan-2-yl-1-propyl-1,2,4-triazole?
The InChIKey is DGJNILYONFUBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-4-5-11-6-9-8(10-11)7(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-propan-2-yl-1-propyl-1,2,4-triazole?
3-propan-2-yl-1-propyl-1,2,4-triazole has a molecular weight of 153.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-propyl-1,2,4-triazole is sourced from PubChem (CID 89080702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).