4-phenyl-2-(2-phenylethyl)-3H-1,2,4-triazole;propan-1-amine

C19H26N4 — CID 20533531

IUPAC4-phenyl-2-(2-phenylethyl)-3H-1,2,4-triazole;propan-1-amine
SMILESC1=NN(CCc2ccccc2)CN1c1ccccc1.CCCN
InChIInChI=1S/C16H17N3.C3H9N/c1-3-7-15(8-4-1)11-12-19-14-18(13-17-19)16-9-5-2-6-10-16;1-2-3-4/h1-10,13H,11-12,14H2;2-4H2,1H3
InChIKeyJGMVPZOCTJEIIV-UHFFFAOYSA-N
MW310.45 g/mol
LogP3.31
Rot. Bonds5

About 4-phenyl-2-(2-phenylethyl)-3H-1,2,4-triazole;propan-1-amine

4-phenyl-2-(2-phenylethyl)-3H-1,2,4-triazole;propan-1-amine (PubChem CID 20533531) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is 4-phenyl-2-(2-phenylethyl)-3H-1,2,4-triazole;propan-1-amine.

Molecular Properties

Compound Name4-phenyl-2-(2-phenylethyl)-3H-1,2,4-triazole;propan-1-amine
PubChem CID20533531
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC Name4-phenyl-2-(2-phenylethyl)-3H-1,2,4-triazole;propan-1-amine
SMILESC1=NN(CCc2ccccc2)CN1c1ccccc1.CCCN
InChIInChI=1S/C16H17N3.C3H9N/c1-3-7-15(8-4-1)11-12-19-14-18(13-17-19)16-9-5-2-6-10-16;1-2-3-4/h1-10,13H,11-12,14H2;2-4H2,1H3
InChIKeyJGMVPZOCTJEIIV-UHFFFAOYSA-N
XLogP3.31
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(2-phenylethyl)-3H-1,2,4-triazole;propan-1-amine?
The IUPAC name of 4-phenyl-2-(2-phenylethyl)-3H-1,2,4-triazole;propan-1-amine (CID 20533531) is 4-phenyl-2-(2-phenylethyl)-3H-1,2,4-triazole;propan-1-amine.
What is the SMILES notation for 4-phenyl-2-(2-phenylethyl)-3H-1,2,4-triazole;propan-1-amine?
The canonical SMILES for 4-phenyl-2-(2-phenylethyl)-3H-1,2,4-triazole;propan-1-amine is C1=NN(CCc2ccccc2)CN1c1ccccc1.CCCN.
What is the InChIKey of 4-phenyl-2-(2-phenylethyl)-3H-1,2,4-triazole;propan-1-amine?
The InChIKey is JGMVPZOCTJEIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3.C3H9N/c1-3-7-15(8-4-1)11-12-19-14-18(13-17-19)16-9-5-2-6-10-16;1-2-3-4/h1-10,13H,11-12,14H2;2-4H2,1H3.
What are the key properties of 4-phenyl-2-(2-phenylethyl)-3H-1,2,4-triazole;propan-1-amine?
4-phenyl-2-(2-phenylethyl)-3H-1,2,4-triazole;propan-1-amine has a molecular weight of 310.45 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(2-phenylethyl)-3H-1,2,4-triazole;propan-1-amine is sourced from PubChem (CID 20533531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).