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

C12H15N3O — CID 114821524

IUPAC5-cyclopentyl-3-(5-methylfuran-3-yl)-1H-1,2,4-triazole
SMILESCc1cc(-c2n[nH]c(C3CCCC3)n2)co1
InChIInChI=1S/C12H15N3O/c1-8-6-10(7-16-8)12-13-11(14-15-12)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,13,14,15)
InChIKeyLSENKEUURIDGMN-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.03
Rot. Bonds2

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

5-cyclopentyl-3-(5-methylfuran-3-yl)-1H-1,2,4-triazole (PubChem CID 114821524) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-cyclopentyl-3-(5-methylfuran-3-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopentyl-3-(5-methylfuran-3-yl)-1H-1,2,4-triazole
PubChem CID114821524
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-cyclopentyl-3-(5-methylfuran-3-yl)-1H-1,2,4-triazole
SMILESCc1cc(-c2n[nH]c(C3CCCC3)n2)co1
InChIInChI=1S/C12H15N3O/c1-8-6-10(7-16-8)12-13-11(14-15-12)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,13,14,15)
InChIKeyLSENKEUURIDGMN-UHFFFAOYSA-N
XLogP3.03
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-(5-methylfuran-3-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclopentyl-3-(5-methylfuran-3-yl)-1H-1,2,4-triazole (CID 114821524) is 5-cyclopentyl-3-(5-methylfuran-3-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclopentyl-3-(5-methylfuran-3-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclopentyl-3-(5-methylfuran-3-yl)-1H-1,2,4-triazole is Cc1cc(-c2n[nH]c(C3CCCC3)n2)co1.
What is the InChIKey of 5-cyclopentyl-3-(5-methylfuran-3-yl)-1H-1,2,4-triazole?
The InChIKey is LSENKEUURIDGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-6-10(7-16-8)12-13-11(14-15-12)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 5-cyclopentyl-3-(5-methylfuran-3-yl)-1H-1,2,4-triazole?
5-cyclopentyl-3-(5-methylfuran-3-yl)-1H-1,2,4-triazole has a molecular weight of 217.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-(5-methylfuran-3-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 114821524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).