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

C16H21N3 — CID 61337737

IUPAC5-cyclopentyl-3-(1-phenylpropyl)-1H-1,2,4-triazole
SMILESCCC(c1ccccc1)c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C16H21N3/c1-2-14(12-8-4-3-5-9-12)16-17-15(18-19-16)13-10-6-7-11-13/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3,(H,17,18,19)
InChIKeyNPFVVTHQJICVSP-UHFFFAOYSA-N
MW255.37 g/mol
LogP4.00
Rot. Bonds4

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

5-cyclopentyl-3-(1-phenylpropyl)-1H-1,2,4-triazole (PubChem CID 61337737) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 5-cyclopentyl-3-(1-phenylpropyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopentyl-3-(1-phenylpropyl)-1H-1,2,4-triazole
PubChem CID61337737
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name5-cyclopentyl-3-(1-phenylpropyl)-1H-1,2,4-triazole
SMILESCCC(c1ccccc1)c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C16H21N3/c1-2-14(12-8-4-3-5-9-12)16-17-15(18-19-16)13-10-6-7-11-13/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3,(H,17,18,19)
InChIKeyNPFVVTHQJICVSP-UHFFFAOYSA-N
XLogP4.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-(1-phenylpropyl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclopentyl-3-(1-phenylpropyl)-1H-1,2,4-triazole (CID 61337737) is 5-cyclopentyl-3-(1-phenylpropyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclopentyl-3-(1-phenylpropyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclopentyl-3-(1-phenylpropyl)-1H-1,2,4-triazole is CCC(c1ccccc1)c1n[nH]c(C2CCCC2)n1.
What is the InChIKey of 5-cyclopentyl-3-(1-phenylpropyl)-1H-1,2,4-triazole?
The InChIKey is NPFVVTHQJICVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-14(12-8-4-3-5-9-12)16-17-15(18-19-16)13-10-6-7-11-13/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3,(H,17,18,19).
What are the key properties of 5-cyclopentyl-3-(1-phenylpropyl)-1H-1,2,4-triazole?
5-cyclopentyl-3-(1-phenylpropyl)-1H-1,2,4-triazole has a molecular weight of 255.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-(1-phenylpropyl)-1H-1,2,4-triazole is sourced from PubChem (CID 61337737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).