5-phenyl-3-(1-phenylpropyl)-1,2-dihydrotriazole

C17H19N3 — CID 170069547

IUPAC5-phenyl-3-(1-phenylpropyl)-1,2-dihydrotriazole
SMILESCCC(c1ccccc1)N1C=C(c2ccccc2)NN1
InChIInChI=1S/C17H19N3/c1-2-17(15-11-7-4-8-12-15)20-13-16(18-19-20)14-9-5-3-6-10-14/h3-13,17-19H,2H2,1H3
InChIKeyJINPCWPZIFNCQU-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.46
Rot. Bonds4

About 5-phenyl-3-(1-phenylpropyl)-1,2-dihydrotriazole

5-phenyl-3-(1-phenylpropyl)-1,2-dihydrotriazole (PubChem CID 170069547) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-phenyl-3-(1-phenylpropyl)-1,2-dihydrotriazole.

Molecular Properties

Compound Name5-phenyl-3-(1-phenylpropyl)-1,2-dihydrotriazole
PubChem CID170069547
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name5-phenyl-3-(1-phenylpropyl)-1,2-dihydrotriazole
SMILESCCC(c1ccccc1)N1C=C(c2ccccc2)NN1
InChIInChI=1S/C17H19N3/c1-2-17(15-11-7-4-8-12-15)20-13-16(18-19-20)14-9-5-3-6-10-14/h3-13,17-19H,2H2,1H3
InChIKeyJINPCWPZIFNCQU-UHFFFAOYSA-N
XLogP3.46
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
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[3-(1-phenylpropyl)imidazol-4-yl]methanamine
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2-methyl-1-[(1S)-1-phenylpropyl]pyrrole
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2-phenyl-1-(1-phenylpropyl)pyrrole-3-carboxylic acid
CID 68665395
(5E)-5-[(4-phenylphenyl)methylidene]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one
CID 137397202
4-(1-phenylpropyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
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3-(1-phenylpropyl)-7-oxa-3-azabicyclo[4.1.0]heptane
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CID 19774895
4-(1-phenylpropyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
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1-(1-phenylpropyl)tetrazol-5-amine
CID 79506714

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(1-phenylpropyl)-1,2-dihydrotriazole?
The IUPAC name of 5-phenyl-3-(1-phenylpropyl)-1,2-dihydrotriazole (CID 170069547) is 5-phenyl-3-(1-phenylpropyl)-1,2-dihydrotriazole.
What is the SMILES notation for 5-phenyl-3-(1-phenylpropyl)-1,2-dihydrotriazole?
The canonical SMILES for 5-phenyl-3-(1-phenylpropyl)-1,2-dihydrotriazole is CCC(c1ccccc1)N1C=C(c2ccccc2)NN1.
What is the InChIKey of 5-phenyl-3-(1-phenylpropyl)-1,2-dihydrotriazole?
The InChIKey is JINPCWPZIFNCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-17(15-11-7-4-8-12-15)20-13-16(18-19-20)14-9-5-3-6-10-14/h3-13,17-19H,2H2,1H3.
What are the key properties of 5-phenyl-3-(1-phenylpropyl)-1,2-dihydrotriazole?
5-phenyl-3-(1-phenylpropyl)-1,2-dihydrotriazole has a molecular weight of 265.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(1-phenylpropyl)-1,2-dihydrotriazole is sourced from PubChem (CID 170069547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).