8-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one

C16H15N3OS — CID 7259196

IUPAC8-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one
SMILESCc1ccn2c(=O)nc(S[C@H](C)c3ccccc3)nc2c1
InChIInChI=1S/C16H15N3OS/c1-11-8-9-19-14(10-11)17-15(18-16(19)20)21-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3/t12-/m1/s1
InChIKeyBPJMOXNHZHRNSS-GFCCVEGCSA-N
MW297.38 g/mol
LogP3.25
Rot. Bonds3

About 8-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one

8-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one (PubChem CID 7259196) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 8-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name8-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one
PubChem CID7259196
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name8-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one
SMILESCc1ccn2c(=O)nc(S[C@H](C)c3ccccc3)nc2c1
InChIInChI=1S/C16H15N3OS/c1-11-8-9-19-14(10-11)17-15(18-16(19)20)21-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3/t12-/m1/s1
InChIKeyBPJMOXNHZHRNSS-GFCCVEGCSA-N
XLogP3.25
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one with MolForge

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Related Compounds

7-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one
CID 7259039
2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 7259216
8-methyl-2-prop-2-enylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one
CID 2768975
2-[(4-methoxyphenyl)methylsulfanyl]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
CID 1471230
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
CID 7259101
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
CID 7259108
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259225
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259190
N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2,2-diphenylacetamide
CID 16799381
2-[ethyl(methyl)amino]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
CID 23760865
4,8-dimethylpyrido[1,2-a]pyrimidin-2-one
CID 599966
N-(2,5-dimethoxyphenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259156

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 8-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one (CID 7259196) is 8-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 8-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 8-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one is Cc1ccn2c(=O)nc(S[C@H](C)c3ccccc3)nc2c1.
What is the InChIKey of 8-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one?
The InChIKey is BPJMOXNHZHRNSS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-8-9-19-14(10-11)17-15(18-16(19)20)21-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3/t12-/m1/s1.
What are the key properties of 8-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one?
8-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one has a molecular weight of 297.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 7259196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).