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

C14H17N3 — CID 61336942

IUPAC5-cyclopropyl-3-(1-phenylpropyl)-1H-1,2,4-triazole
SMILESCCC(c1ccccc1)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C14H17N3/c1-2-12(10-6-4-3-5-7-10)14-15-13(16-17-14)11-8-9-11/h3-7,11-12H,2,8-9H2,1H3,(H,15,16,17)
InChIKeyACHIWCAFWRHNBS-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.22
Rot. Bonds4

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

5-cyclopropyl-3-(1-phenylpropyl)-1H-1,2,4-triazole (PubChem CID 61336942) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-cyclopropyl-3-(1-phenylpropyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(1-phenylpropyl)-1H-1,2,4-triazole
PubChem CID61336942
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name5-cyclopropyl-3-(1-phenylpropyl)-1H-1,2,4-triazole
SMILESCCC(c1ccccc1)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C14H17N3/c1-2-12(10-6-4-3-5-7-10)14-15-13(16-17-14)11-8-9-11/h3-7,11-12H,2,8-9H2,1H3,(H,15,16,17)
InChIKeyACHIWCAFWRHNBS-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(1-phenylpropyl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclopropyl-3-(1-phenylpropyl)-1H-1,2,4-triazole (CID 61336942) is 5-cyclopropyl-3-(1-phenylpropyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclopropyl-3-(1-phenylpropyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclopropyl-3-(1-phenylpropyl)-1H-1,2,4-triazole is CCC(c1ccccc1)c1n[nH]c(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-3-(1-phenylpropyl)-1H-1,2,4-triazole?
The InChIKey is ACHIWCAFWRHNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-12(10-6-4-3-5-7-10)14-15-13(16-17-14)11-8-9-11/h3-7,11-12H,2,8-9H2,1H3,(H,15,16,17).
What are the key properties of 5-cyclopropyl-3-(1-phenylpropyl)-1H-1,2,4-triazole?
5-cyclopropyl-3-(1-phenylpropyl)-1H-1,2,4-triazole has a molecular weight of 227.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(1-phenylpropyl)-1H-1,2,4-triazole is sourced from PubChem (CID 61336942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).