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

C14H12N4O2 — CID 136863153

IUPAC2-(4-methoxyphenyl)-5-pyridin-2-yl-4H-1,2,4-triazol-3-one
SMILESCOc1ccc(-n2nc(-c3ccccn3)[nH]c2=O)cc1
InChIInChI=1S/C14H12N4O2/c1-20-11-7-5-10(6-8-11)18-14(19)16-13(17-18)12-4-2-3-9-15-12/h2-9H,1H3,(H,16,17,19)
InChIKeyDUXXMTUWROUAKV-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.63
Rot. Bonds3

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

2-(4-methoxyphenyl)-5-pyridin-2-yl-4H-1,2,4-triazol-3-one (PubChem CID 136863153) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-pyridin-2-yl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-pyridin-2-yl-4H-1,2,4-triazol-3-one
PubChem CID136863153
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-(4-methoxyphenyl)-5-pyridin-2-yl-4H-1,2,4-triazol-3-one
SMILESCOc1ccc(-n2nc(-c3ccccn3)[nH]c2=O)cc1
InChIInChI=1S/C14H12N4O2/c1-20-11-7-5-10(6-8-11)18-14(19)16-13(17-18)12-4-2-3-9-15-12/h2-9H,1H3,(H,16,17,19)
InChIKeyDUXXMTUWROUAKV-UHFFFAOYSA-N
XLogP1.63
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-1-pyridin-2-yl-4H-pyrazolo[5,4-b]indole
CID 135873637
5-(aminomethyl)-2-(4-methoxyphenyl)-4H-1,2,4-triazol-3-one
CID 136999549
2-(4-methoxyphenyl)-5-[1-(2-pyridin-2-ylethyl)piperidin-3-yl]-4H-1,2,4-triazol-3-one
CID 177143789
5-phenyl-2-(4-phenylphenyl)-4H-1,2,4-triazol-3-one
CID 135949977
3-(4-methoxyphenyl)-6-pyridin-2-yl-1H-pyridin-2-one
CID 139267080
4-methoxy-6-pyridin-2-yl-1H-pyridin-2-one
CID 121218166
5-(2,6-dichlorophenyl)-2-(3-methoxyphenyl)-4H-1,2,4-triazol-3-one
CID 141387646
2-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine;dihydrate
CID 139068037
5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 157439446
5-methoxy-2-pyridin-2-ylpyridine
CID 604153
1-[3,4-dihydroxy-1-(4-methoxyphenyl)-5-pyridin-2-ylpyrrol-2-yl]ethanone
CID 136954770
1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 82370915

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-pyridin-2-yl-4H-1,2,4-triazol-3-one?
The IUPAC name of 2-(4-methoxyphenyl)-5-pyridin-2-yl-4H-1,2,4-triazol-3-one (CID 136863153) is 2-(4-methoxyphenyl)-5-pyridin-2-yl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-pyridin-2-yl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 2-(4-methoxyphenyl)-5-pyridin-2-yl-4H-1,2,4-triazol-3-one is COc1ccc(-n2nc(-c3ccccn3)[nH]c2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-pyridin-2-yl-4H-1,2,4-triazol-3-one?
The InChIKey is DUXXMTUWROUAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-20-11-7-5-10(6-8-11)18-14(19)16-13(17-18)12-4-2-3-9-15-12/h2-9H,1H3,(H,16,17,19).
What are the key properties of 2-(4-methoxyphenyl)-5-pyridin-2-yl-4H-1,2,4-triazol-3-one?
2-(4-methoxyphenyl)-5-pyridin-2-yl-4H-1,2,4-triazol-3-one has a molecular weight of 268.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-pyridin-2-yl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 136863153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).