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

C9H15N3 — CID 142486366

IUPAC3-cyclobutyl-1-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1cnc(C2CCC2)n1
InChIInChI=1S/C9H15N3/c1-7(2)12-6-10-9(11-12)8-4-3-5-8/h6-8H,3-5H2,1-2H3
InChIKeyJAGDGTGNPAXKMO-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.13
Rot. Bonds2

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

3-cyclobutyl-1-propan-2-yl-1,2,4-triazole (PubChem CID 142486366) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-cyclobutyl-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclobutyl-1-propan-2-yl-1,2,4-triazole
PubChem CID142486366
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-cyclobutyl-1-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1cnc(C2CCC2)n1
InChIInChI=1S/C9H15N3/c1-7(2)12-6-10-9(11-12)8-4-3-5-8/h6-8H,3-5H2,1-2H3
InChIKeyJAGDGTGNPAXKMO-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-cyclobutyl-1-methyl-1H-1,2,4-triazole
CID 84036935
5-isopropyl-1-methyl-1H-1,2,4-triazole
CID 15496056
5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1H-1,2,4-triazole
CID 131941557
3-Butyl-1-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 21869109
3-(2-Fluoropropan-2-yl)-1-propan-2-yl-1,2,4-triazole
CID 134536518
1-(1,1-Difluoropropan-2-yl)-5-propan-2-yl-1,2,4-triazole
CID 157030837
5-Propan-2-yl-1-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazole
CID 157031265
1-[(2R)-1,1-difluoropropan-2-yl]-5-propan-2-yl-1,2,4-triazole
CID 166500176
5-propan-2-yl-1-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazole
CID 166500317
5-propan-2-yl-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazole
CID 166500436
1-(3-Fluoropropyl)-5-propan-2-yl-1,2,4-triazole
CID 166500647
1-[(2S)-1,1-difluoropropan-2-yl]-5-propan-2-yl-1,2,4-triazole
CID 166500754

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-cyclobutyl-1-propan-2-yl-1,2,4-triazole (CID 142486366) is 3-cyclobutyl-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-cyclobutyl-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-cyclobutyl-1-propan-2-yl-1,2,4-triazole is CC(C)n1cnc(C2CCC2)n1.
What is the InChIKey of 3-cyclobutyl-1-propan-2-yl-1,2,4-triazole?
The InChIKey is JAGDGTGNPAXKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7(2)12-6-10-9(11-12)8-4-3-5-8/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-cyclobutyl-1-propan-2-yl-1,2,4-triazole?
3-cyclobutyl-1-propan-2-yl-1,2,4-triazole has a molecular weight of 165.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 142486366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).