4-tert-butyl-3-cyclopentyl-1,2,4-triazole

C11H19N3 — CID 115394543

IUPAC4-tert-butyl-3-cyclopentyl-1,2,4-triazole
SMILESCC(C)(C)n1cnnc1C1CCCC1
InChIInChI=1S/C11H19N3/c1-11(2,3)14-8-12-13-10(14)9-6-4-5-7-9/h8-9H,4-7H2,1-3H3
InChIKeySYRZQBNCDIGIBY-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.69
Rot. Bonds1

About 4-tert-butyl-3-cyclopentyl-1,2,4-triazole

4-tert-butyl-3-cyclopentyl-1,2,4-triazole (PubChem CID 115394543) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-tert-butyl-3-cyclopentyl-1,2,4-triazole.

Molecular Properties

Compound Name4-tert-butyl-3-cyclopentyl-1,2,4-triazole
PubChem CID115394543
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-tert-butyl-3-cyclopentyl-1,2,4-triazole
SMILESCC(C)(C)n1cnnc1C1CCCC1
InChIInChI=1S/C11H19N3/c1-11(2,3)14-8-12-13-10(14)9-6-4-5-7-9/h8-9H,4-7H2,1-3H3
InChIKeySYRZQBNCDIGIBY-UHFFFAOYSA-N
XLogP2.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-1,2,4-triazol-3-yl)thiane 1,1-dioxide
CID 113422585
3-cyclobutyl-4-propan-2-yl-1,2,4-triazole
CID 115393971
3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole
CID 115395572
3-(4-tert-butylcyclohexyl)-4-methyl-1,2,4-triazole
CID 115395347
3-(4-methyl-1,2,4-triazol-3-yl)cycloheptan-1-ol
CID 130905531
3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole
CID 115395675
1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95730649
3-(4-tert-butylcyclohexyl)-4-propan-2-yl-1,2,4-triazole
CID 113301075
4-tert-butyl-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazole
CID 115394450
4-methyl-3-(oxan-3-yl)-1,2,4-triazole
CID 115395411
1-tert-butyl-2-cyclopentyl-5-propan-2-ylimidazole
CID 169322221
3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine
CID 62710235

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-cyclopentyl-1,2,4-triazole?
The IUPAC name of 4-tert-butyl-3-cyclopentyl-1,2,4-triazole (CID 115394543) is 4-tert-butyl-3-cyclopentyl-1,2,4-triazole.
What is the SMILES notation for 4-tert-butyl-3-cyclopentyl-1,2,4-triazole?
The canonical SMILES for 4-tert-butyl-3-cyclopentyl-1,2,4-triazole is CC(C)(C)n1cnnc1C1CCCC1.
What is the InChIKey of 4-tert-butyl-3-cyclopentyl-1,2,4-triazole?
The InChIKey is SYRZQBNCDIGIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2,3)14-8-12-13-10(14)9-6-4-5-7-9/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-3-cyclopentyl-1,2,4-triazole?
4-tert-butyl-3-cyclopentyl-1,2,4-triazole has a molecular weight of 193.29 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-cyclopentyl-1,2,4-triazole is sourced from PubChem (CID 115394543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).