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

C16H15N3OS — CID 7259039

IUPAC7-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one
SMILESCc1ccc2nc(S[C@H](C)c3ccccc3)nc(=O)n2c1
InChIInChI=1S/C16H15N3OS/c1-11-8-9-14-17-15(18-16(20)19(14)10-11)21-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3/t12-/m1/s1
InChIKeyMQZSEOQTUBVRJY-GFCCVEGCSA-N
MW297.38 g/mol
LogP3.25
Rot. Bonds3

About 7-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one

7-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one (PubChem CID 7259039) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 7-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name7-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one
PubChem CID7259039
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name7-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one
SMILESCc1ccc2nc(S[C@H](C)c3ccccc3)nc(=O)n2c1
InChIInChI=1S/C16H15N3OS/c1-11-8-9-14-17-15(18-16(20)19(14)10-11)21-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3/t12-/m1/s1
InChIKeyMQZSEOQTUBVRJY-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 7-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one with MolForge

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Related Compounds

8-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one
CID 7259196
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-7-methylpyrido[1,2-a][1,3,5]triazin-4-one
CID 7259093
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-7-methylpyrido[1,2-a][1,3,5]triazin-4-one
CID 7256705
7-chloro-2-methylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one
CID 11837317
N-(4-methoxyphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256725
N-cyclohexyl-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 18573490
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7542894
2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]benzoic acid
CID 42917021
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 9050893
N-tert-butyl-6-methyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine
CID 3968769
2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7259023
N-(1,3-benzodioxol-5-yl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256738

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 7-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one (CID 7259039) is 7-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 7-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 7-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one is Cc1ccc2nc(S[C@H](C)c3ccccc3)nc(=O)n2c1.
What is the InChIKey of 7-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one?
The InChIKey is MQZSEOQTUBVRJY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-8-9-14-17-15(18-16(20)19(14)10-11)21-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3/t12-/m1/s1.
What are the key properties of 7-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one?
7-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 7-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 7259039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).