3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole

C9H15N3 — CID 18989691

IUPAC3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nc(C2CC2)nn1C
InChIInChI=1S/C9H15N3/c1-6(2)9-10-8(7-4-5-7)11-12(9)3/h6-7H,4-5H2,1-3H3
InChIKeyXCBRUDZEKXDPJL-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.82
Rot. Bonds2

About 3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole

3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole (PubChem CID 18989691) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole
PubChem CID18989691
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nc(C2CC2)nn1C
InChIInChI=1S/C9H15N3/c1-6(2)9-10-8(7-4-5-7)11-12(9)3/h6-7H,4-5H2,1-3H3
InChIKeyXCBRUDZEKXDPJL-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-1-methyl-5-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

Related Compounds

CID 46318327
CID 46318327
CID 50986546
CID 50986546
CID 84035176
CID 84035176
CID 20597165
CID 20597165
CID 62720360
CID 62720360
CID 85670735
CID 85670735
CID 165943129
CID 165943129
CID 15496056
CID 15496056
CID 15496057
CID 15496057
CID 18338551
CID 18338551
CID 72860700
CID 72860700
CID 72917669
CID 72917669

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole (CID 18989691) is 3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole is CC(C)c1nc(C2CC2)nn1C.
What is the InChIKey of 3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole?
The InChIKey is XCBRUDZEKXDPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-6(2)9-10-8(7-4-5-7)11-12(9)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole?
3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole has a molecular weight of 165.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 18989691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).