3-(3-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one

C13H11N3O2 — CID 117142208

IUPAC3-(3-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
SMILESCOc1cccc(-c2n[nH]c3cccc(=O)n23)c1
InChIInChI=1S/C13H11N3O2/c1-18-10-5-2-4-9(8-10)13-15-14-11-6-3-7-12(17)16(11)13/h2-8,14H,1H3
InChIKeyLFHFWOKUXPAURR-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.70
Rot. Bonds2

About 3-(3-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one

3-(3-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one (PubChem CID 117142208) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
PubChem CID117142208
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-(3-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
SMILESCOc1cccc(-c2n[nH]c3cccc(=O)n23)c1
InChIInChI=1S/C13H11N3O2/c1-18-10-5-2-4-9(8-10)13-15-14-11-6-3-7-12(17)16(11)13/h2-8,14H,1H3
InChIKeyLFHFWOKUXPAURR-UHFFFAOYSA-N
XLogP1.70
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117133032
3-(2-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
CID 117142227
3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135421750
5-(3-methoxyphenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17079174
4-(3-methoxyphenyl)-3-methyl-1H-1,2,4-triazol-5-one
CID 3843100
2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 43814268
2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one
CID 54063244
5-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271004
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrazol-3-one
CID 118542012
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The IUPAC name of 3-(3-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one (CID 117142208) is 3-(3-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The canonical SMILES for 3-(3-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one is COc1cccc(-c2n[nH]c3cccc(=O)n23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The InChIKey is LFHFWOKUXPAURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-18-10-5-2-4-9(8-10)13-15-14-11-6-3-7-12(17)16(11)13/h2-8,14H,1H3.
What are the key properties of 3-(3-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
3-(3-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one has a molecular weight of 241.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one is sourced from PubChem (CID 117142208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).