3,5-dicyclopropyl-1-methyl-1,2,4-triazole

C9H13N3 — CID 69055883

IUPAC3,5-dicyclopropyl-1-methyl-1,2,4-triazole
SMILESCn1nc(C2CC2)nc1C1CC1
InChIInChI=1S/C9H13N3/c1-12-9(7-4-5-7)10-8(11-12)6-2-3-6/h6-7H,2-5H2,1H3
InChIKeyHHCXEOQOFDVCFJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.57
Rot. Bonds2

About 3,5-dicyclopropyl-1-methyl-1,2,4-triazole

3,5-dicyclopropyl-1-methyl-1,2,4-triazole (PubChem CID 69055883) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3,5-dicyclopropyl-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dicyclopropyl-1-methyl-1,2,4-triazole
PubChem CID69055883
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3,5-dicyclopropyl-1-methyl-1,2,4-triazole
SMILESCn1nc(C2CC2)nc1C1CC1
InChIInChI=1S/C9H13N3/c1-12-9(7-4-5-7)10-8(11-12)6-2-3-6/h6-7H,2-5H2,1H3
InChIKeyHHCXEOQOFDVCFJ-UHFFFAOYSA-N
XLogP1.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5-dicyclopropyl-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 3,5-dicyclopropyl-1-methyl-1,2,4-triazole?
The IUPAC name of 3,5-dicyclopropyl-1-methyl-1,2,4-triazole (CID 69055883) is 3,5-dicyclopropyl-1-methyl-1,2,4-triazole.
What is the SMILES notation for 3,5-dicyclopropyl-1-methyl-1,2,4-triazole?
The canonical SMILES for 3,5-dicyclopropyl-1-methyl-1,2,4-triazole is Cn1nc(C2CC2)nc1C1CC1.
What is the InChIKey of 3,5-dicyclopropyl-1-methyl-1,2,4-triazole?
The InChIKey is HHCXEOQOFDVCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-12-9(7-4-5-7)10-8(11-12)6-2-3-6/h6-7H,2-5H2,1H3.
What are the key properties of 3,5-dicyclopropyl-1-methyl-1,2,4-triazole?
3,5-dicyclopropyl-1-methyl-1,2,4-triazole has a molecular weight of 163.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dicyclopropyl-1-methyl-1,2,4-triazole is sourced from PubChem (CID 69055883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).