5-cyclopentyl-3-heptan-4-yl-1H-1,2,4-triazole

C14H25N3 — CID 82987037

IUPAC5-cyclopentyl-3-heptan-4-yl-1H-1,2,4-triazole
SMILESCCCC(CCC)c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C14H25N3/c1-3-7-11(8-4-2)13-15-14(17-16-13)12-9-5-6-10-12/h11-12H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyFLPXRULFRCTILM-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.15
Rot. Bonds6

About 5-cyclopentyl-3-heptan-4-yl-1H-1,2,4-triazole

5-cyclopentyl-3-heptan-4-yl-1H-1,2,4-triazole (PubChem CID 82987037) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-cyclopentyl-3-heptan-4-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopentyl-3-heptan-4-yl-1H-1,2,4-triazole
PubChem CID82987037
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name5-cyclopentyl-3-heptan-4-yl-1H-1,2,4-triazole
SMILESCCCC(CCC)c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C14H25N3/c1-3-7-11(8-4-2)13-15-14(17-16-13)12-9-5-6-10-12/h11-12H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyFLPXRULFRCTILM-UHFFFAOYSA-N
XLogP4.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-heptan-4-yl-1H-1,2,4-triazole?
The IUPAC name of 5-cyclopentyl-3-heptan-4-yl-1H-1,2,4-triazole (CID 82987037) is 5-cyclopentyl-3-heptan-4-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclopentyl-3-heptan-4-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclopentyl-3-heptan-4-yl-1H-1,2,4-triazole is CCCC(CCC)c1n[nH]c(C2CCCC2)n1.
What is the InChIKey of 5-cyclopentyl-3-heptan-4-yl-1H-1,2,4-triazole?
The InChIKey is FLPXRULFRCTILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-7-11(8-4-2)13-15-14(17-16-13)12-9-5-6-10-12/h11-12H,3-10H2,1-2H3,(H,15,16,17).
What are the key properties of 5-cyclopentyl-3-heptan-4-yl-1H-1,2,4-triazole?
5-cyclopentyl-3-heptan-4-yl-1H-1,2,4-triazole has a molecular weight of 235.37 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-heptan-4-yl-1H-1,2,4-triazole is sourced from PubChem (CID 82987037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).