3-phenyl-4-(1-phenylethyl)-1,2,4-triazole

C16H15N3 — CID 141287067

IUPAC3-phenyl-4-(1-phenylethyl)-1,2,4-triazole
SMILESCC(c1ccccc1)n1cnnc1-c1ccccc1
InChIInChI=1S/C16H15N3/c1-13(14-8-4-2-5-9-14)19-12-17-18-16(19)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyHZBSGVZYYMEGMN-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.55
Rot. Bonds3

About 3-phenyl-4-(1-phenylethyl)-1,2,4-triazole

3-phenyl-4-(1-phenylethyl)-1,2,4-triazole (PubChem CID 141287067) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-phenyl-4-(1-phenylethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-phenyl-4-(1-phenylethyl)-1,2,4-triazole
PubChem CID141287067
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name3-phenyl-4-(1-phenylethyl)-1,2,4-triazole
SMILESCC(c1ccccc1)n1cnnc1-c1ccccc1
InChIInChI=1S/C16H15N3/c1-13(14-8-4-2-5-9-14)19-12-17-18-16(19)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyHZBSGVZYYMEGMN-UHFFFAOYSA-N
XLogP3.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethanamine
CID 95223429
2-[[4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 43148552
3-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 62695272
2-methyl-1-[(1R)-1-phenylethyl]imidazole
CID 76960079
4-[1-(5-phenylimidazol-1-yl)ethyl]aniline
CID 116650734
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-4-(1-phenylethyl)-1,2,4-triazole
CID 71883680
2-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine
CID 115393932
3-[(3-chlorophenyl)methylsulfanyl]-4-(1-phenylethyl)-1,2,4-triazole
CID 166185333
4-[1-(4-bromophenyl)ethyl]-3-chloro-1,2,4-triazole
CID 63389342
4-benzhydryl-3-chloro-1,2,4-triazole
CID 63384557
6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline
CID 115393947
3-(4-propan-2-yl-1,2,4-triazol-3-yl)naphthalen-2-amine
CID 62695844

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-(1-phenylethyl)-1,2,4-triazole?
The IUPAC name of 3-phenyl-4-(1-phenylethyl)-1,2,4-triazole (CID 141287067) is 3-phenyl-4-(1-phenylethyl)-1,2,4-triazole.
What is the SMILES notation for 3-phenyl-4-(1-phenylethyl)-1,2,4-triazole?
The canonical SMILES for 3-phenyl-4-(1-phenylethyl)-1,2,4-triazole is CC(c1ccccc1)n1cnnc1-c1ccccc1.
What is the InChIKey of 3-phenyl-4-(1-phenylethyl)-1,2,4-triazole?
The InChIKey is HZBSGVZYYMEGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-13(14-8-4-2-5-9-14)19-12-17-18-16(19)15-10-6-3-7-11-15/h2-13H,1H3.
What are the key properties of 3-phenyl-4-(1-phenylethyl)-1,2,4-triazole?
3-phenyl-4-(1-phenylethyl)-1,2,4-triazole has a molecular weight of 249.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-(1-phenylethyl)-1,2,4-triazole is sourced from PubChem (CID 141287067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).