N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide

C19H18N4OS — CID 6412172

IUPACN-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCc1nnc(NC(=O)C(Sc2ccccc2)c2ccccc2)nc1C
InChIInChI=1S/C19H18N4OS/c1-13-14(2)22-23-19(20-13)21-18(24)17(15-9-5-3-6-10-15)25-16-11-7-4-8-12-16/h3-12,17H,1-2H3,(H,20,21,23,24)
InChIKeyYHYHPFCFDMFJPP-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.96
Rot. Bonds5

About N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 6412172) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID6412172
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCc1nnc(NC(=O)C(Sc2ccccc2)c2ccccc2)nc1C
InChIInChI=1S/C19H18N4OS/c1-13-14(2)22-23-19(20-13)21-18(24)17(15-9-5-3-6-10-15)25-16-11-7-4-8-12-16/h3-12,17H,1-2H3,(H,20,21,23,24)
InChIKeyYHYHPFCFDMFJPP-UHFFFAOYSA-N
XLogP3.96
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 40554986
N-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 17381762
2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide
CID 5196122
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
2-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylacetamide
CID 114387927
(2S)-2-phenyl-2-phenylsulfanyl-N-pyridin-2-ylacetamide
CID 40546464
N'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide
CID 42888617
2-phenyl-2-phenylsulfanylacetic acid;bis(2-phenyl-2-phenylsulfanyl-N-(2H-tetrazol-5-yl)acetamide)
CID 160889142
N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904304
2-methyl-N-[4-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 43000405
2-methyl-N-[3-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 55609795

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide (CID 6412172) is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide is Cc1nnc(NC(=O)C(Sc2ccccc2)c2ccccc2)nc1C.
What is the InChIKey of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is YHYHPFCFDMFJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-13-14(2)22-23-19(20-13)21-18(24)17(15-9-5-3-6-10-15)25-16-11-7-4-8-12-16/h3-12,17H,1-2H3,(H,20,21,23,24).
What are the key properties of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide?
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 350.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 6412172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).