2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one

C15H13N3O2 — CID 54063244

IUPAC2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one
SMILESCOc1cccc(-n2[nH]c(=O)nc2-c2ccccc2)c1
InChIInChI=1S/C15H13N3O2/c1-20-13-9-5-8-12(10-13)18-14(16-15(19)17-18)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,19)
InChIKeyMBFJKNDETVOHKN-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.24
Rot. Bonds3

About 2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one

2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one (PubChem CID 54063244) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one
PubChem CID54063244
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one
SMILESCOc1cccc(-n2[nH]c(=O)nc2-c2ccccc2)c1
InChIInChI=1S/C15H13N3O2/c1-20-13-9-5-8-12(10-13)18-14(16-15(19)17-18)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,19)
InChIKeyMBFJKNDETVOHKN-UHFFFAOYSA-N
XLogP2.24
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one
CID 54414073
ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one
CID 143937149
4-(5-oxo-3-phenyl-1H-1,2,4-triazol-2-yl)benzenesulfonamide
CID 10403463
1-(3-methoxyphenyl)-5-oxo-2H-triazole-4-carboxylic acid
CID 23008892
4-(3-methoxyphenyl)-3-methyl-1H-1,2,4-triazol-5-one
CID 3843100
2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 66920137
5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one
CID 114798023
5-ethyl-2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-4-carboxylic acid
CID 117123980
3-(3-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
CID 117142208
5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one
CID 751024
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
5-(3-methoxyphenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17079174

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one (CID 54063244) is 2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one is COc1cccc(-n2[nH]c(=O)nc2-c2ccccc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one?
The InChIKey is MBFJKNDETVOHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-13-9-5-8-12(10-13)18-14(16-15(19)17-18)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,19).
What are the key properties of 2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one?
2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one has a molecular weight of 267.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 54063244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).