8-methoxy-2-phenylpyrido[1,2-a][1,3,5]triazin-4-one

C14H11N3O2 — CID 132508794

IUPAC8-methoxy-2-phenylpyrido[1,2-a][1,3,5]triazin-4-one
SMILESCOc1ccn2c(=O)nc(-c3ccccc3)nc2c1
InChIInChI=1S/C14H11N3O2/c1-19-11-7-8-17-12(9-11)15-13(16-14(17)18)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyDTMKBWHSXQHBAH-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.77
Rot. Bonds2

About 8-methoxy-2-phenylpyrido[1,2-a][1,3,5]triazin-4-one

8-methoxy-2-phenylpyrido[1,2-a][1,3,5]triazin-4-one (PubChem CID 132508794) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 8-methoxy-2-phenylpyrido[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name8-methoxy-2-phenylpyrido[1,2-a][1,3,5]triazin-4-one
PubChem CID132508794
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name8-methoxy-2-phenylpyrido[1,2-a][1,3,5]triazin-4-one
SMILESCOc1ccn2c(=O)nc(-c3ccccc3)nc2c1
InChIInChI=1S/C14H11N3O2/c1-19-11-7-8-17-12(9-11)15-13(16-14(17)18)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyDTMKBWHSXQHBAH-UHFFFAOYSA-N
XLogP1.77
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-3-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridine
CID 132581809
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
2-(4-chlorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one
CID 15209201
2-(3,4-dimethoxyphenyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one
CID 146523465
7-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 105432579
2-ethyl-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid
CID 83690690
7-(3-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 18681588
2-phenyl-8-propoxypyrido[1,2-a]pyrimidin-4-one
CID 58425404
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-(7-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenol
CID 136927173
2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol
CID 142176460
6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-phenylpyrido[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 8-methoxy-2-phenylpyrido[1,2-a][1,3,5]triazin-4-one (CID 132508794) is 8-methoxy-2-phenylpyrido[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 8-methoxy-2-phenylpyrido[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 8-methoxy-2-phenylpyrido[1,2-a][1,3,5]triazin-4-one is COc1ccn2c(=O)nc(-c3ccccc3)nc2c1.
What is the InChIKey of 8-methoxy-2-phenylpyrido[1,2-a][1,3,5]triazin-4-one?
The InChIKey is DTMKBWHSXQHBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-19-11-7-8-17-12(9-11)15-13(16-14(17)18)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 8-methoxy-2-phenylpyrido[1,2-a][1,3,5]triazin-4-one?
8-methoxy-2-phenylpyrido[1,2-a][1,3,5]triazin-4-one has a molecular weight of 253.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-phenylpyrido[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 132508794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).