5-cyclopentyl-1H-1,2,4-triazole

C7H11N3 — CID 19068003

IUPAC5-cyclopentyl-1H-1,2,4-triazole
SMILESc1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C7H11N3/c1-2-4-6(3-1)7-8-5-9-10-7/h5-6H,1-4H2,(H,8,9,10)
InChIKeyZINKSVIPXHPJIU-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.46
Rot. Bonds1

About 5-cyclopentyl-1H-1,2,4-triazole

5-cyclopentyl-1H-1,2,4-triazole (PubChem CID 19068003) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 5-cyclopentyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopentyl-1H-1,2,4-triazole
PubChem CID19068003
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name5-cyclopentyl-1H-1,2,4-triazole
SMILESc1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C7H11N3/c1-2-4-6(3-1)7-8-5-9-10-7/h5-6H,1-4H2,(H,8,9,10)
InChIKeyZINKSVIPXHPJIU-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1H-1,2,4-triazole?
The IUPAC name of 5-cyclopentyl-1H-1,2,4-triazole (CID 19068003) is 5-cyclopentyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclopentyl-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclopentyl-1H-1,2,4-triazole is c1n[nH]c(C2CCCC2)n1.
What is the InChIKey of 5-cyclopentyl-1H-1,2,4-triazole?
The InChIKey is ZINKSVIPXHPJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-4-6(3-1)7-8-5-9-10-7/h5-6H,1-4H2,(H,8,9,10).
What are the key properties of 5-cyclopentyl-1H-1,2,4-triazole?
5-cyclopentyl-1H-1,2,4-triazole has a molecular weight of 137.19 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1H-1,2,4-triazole is sourced from PubChem (CID 19068003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).