5-cyclopentyl-3-(2-methylbutan-2-yl)-1H-1,2,4-triazole

C12H21N3 — CID 62678998

IUPAC5-cyclopentyl-3-(2-methylbutan-2-yl)-1H-1,2,4-triazole
SMILESCCC(C)(C)c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C12H21N3/c1-4-12(2,3)11-13-10(14-15-11)9-7-5-6-8-9/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyMFMUBFDKUMWYRJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.15
Rot. Bonds3

About 5-cyclopentyl-3-(2-methylbutan-2-yl)-1H-1,2,4-triazole

5-cyclopentyl-3-(2-methylbutan-2-yl)-1H-1,2,4-triazole (PubChem CID 62678998) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-cyclopentyl-3-(2-methylbutan-2-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopentyl-3-(2-methylbutan-2-yl)-1H-1,2,4-triazole
PubChem CID62678998
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-cyclopentyl-3-(2-methylbutan-2-yl)-1H-1,2,4-triazole
SMILESCCC(C)(C)c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C12H21N3/c1-4-12(2,3)11-13-10(14-15-11)9-7-5-6-8-9/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyMFMUBFDKUMWYRJ-UHFFFAOYSA-N
XLogP3.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-(2-methylbutan-2-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclopentyl-3-(2-methylbutan-2-yl)-1H-1,2,4-triazole (CID 62678998) is 5-cyclopentyl-3-(2-methylbutan-2-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclopentyl-3-(2-methylbutan-2-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclopentyl-3-(2-methylbutan-2-yl)-1H-1,2,4-triazole is CCC(C)(C)c1n[nH]c(C2CCCC2)n1.
What is the InChIKey of 5-cyclopentyl-3-(2-methylbutan-2-yl)-1H-1,2,4-triazole?
The InChIKey is MFMUBFDKUMWYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-12(2,3)11-13-10(14-15-11)9-7-5-6-8-9/h9H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of 5-cyclopentyl-3-(2-methylbutan-2-yl)-1H-1,2,4-triazole?
5-cyclopentyl-3-(2-methylbutan-2-yl)-1H-1,2,4-triazole has a molecular weight of 207.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-(2-methylbutan-2-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 62678998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).