5-naphthalen-1-yl-2-phenyl-4H-1,2,4-triazol-3-one

C18H13N3O — CID 165352090

IUPAC5-naphthalen-1-yl-2-phenyl-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(-c2cccc3ccccc23)nn1-c1ccccc1
InChIInChI=1S/C18H13N3O/c22-18-19-17(20-21(18)14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H,(H,19,20,22)
InChIKeySUBZOTNYGMDKHP-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.38
Rot. Bonds2

About 5-naphthalen-1-yl-2-phenyl-4H-1,2,4-triazol-3-one

5-naphthalen-1-yl-2-phenyl-4H-1,2,4-triazol-3-one (PubChem CID 165352090) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-naphthalen-1-yl-2-phenyl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-naphthalen-1-yl-2-phenyl-4H-1,2,4-triazol-3-one
PubChem CID165352090
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name5-naphthalen-1-yl-2-phenyl-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(-c2cccc3ccccc23)nn1-c1ccccc1
InChIInChI=1S/C18H13N3O/c22-18-19-17(20-21(18)14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H,(H,19,20,22)
InChIKeySUBZOTNYGMDKHP-UHFFFAOYSA-N
XLogP3.38
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
5-phenyl-2-(4-phenylphenyl)-4H-1,2,4-triazol-3-one
CID 135949977
5-bromo-2-phenyl-4H-1,2,4-triazol-3-one
CID 165346620
4-amino-6-naphthalen-1-yl-3-phenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione
CID 135464441
5-methylsulfanyl-2-phenyl-4H-1,2,4-triazol-3-one
CID 137222124
5-pentan-3-yl-2-phenyl-4H-1,2,4-triazol-3-one
CID 135692564
N-[[3-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)phenyl]methyl]formamide
CID 140669621
4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one
CID 106513986
4-naphthalen-1-yl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
CID 671974
2-(4-methoxyphenyl)-5-pyridin-2-yl-4H-1,2,4-triazol-3-one
CID 136863153
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-2-phenyl-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-naphthalen-1-yl-2-phenyl-4H-1,2,4-triazol-3-one (CID 165352090) is 5-naphthalen-1-yl-2-phenyl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-naphthalen-1-yl-2-phenyl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-naphthalen-1-yl-2-phenyl-4H-1,2,4-triazol-3-one is O=c1[nH]c(-c2cccc3ccccc23)nn1-c1ccccc1.
What is the InChIKey of 5-naphthalen-1-yl-2-phenyl-4H-1,2,4-triazol-3-one?
The InChIKey is SUBZOTNYGMDKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c22-18-19-17(20-21(18)14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H,(H,19,20,22).
What are the key properties of 5-naphthalen-1-yl-2-phenyl-4H-1,2,4-triazol-3-one?
5-naphthalen-1-yl-2-phenyl-4H-1,2,4-triazol-3-one has a molecular weight of 287.32 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-2-phenyl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 165352090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).