(2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide

C15H18N4O2S — CID 135552583

IUPAC(2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide
SMILESCCc1ccc(NC(=O)[C@@H](C)Sc2nnc(C)c(=O)[nH]2)cc1
InChIInChI=1S/C15H18N4O2S/c1-4-11-5-7-12(8-6-11)16-14(21)10(3)22-15-17-13(20)9(2)18-19-15/h5-8,10H,4H2,1-3H3,(H,16,21)(H,17,19,20)/t10-/m1/s1
InChIKeyWMXRXNLNXXMDHQ-SNVBAGLBSA-N
MW318.40 g/mol
LogP2.16
Rot. Bonds5

About (2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide

(2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide (PubChem CID 135552583) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide
PubChem CID135552583
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name(2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide
SMILESCCc1ccc(NC(=O)[C@@H](C)Sc2nnc(C)c(=O)[nH]2)cc1
InChIInChI=1S/C15H18N4O2S/c1-4-11-5-7-12(8-6-11)16-14(21)10(3)22-15-17-13(20)9(2)18-19-15/h5-8,10H,4H2,1-3H3,(H,16,21)(H,17,19,20)/t10-/m1/s1
InChIKeyWMXRXNLNXXMDHQ-SNVBAGLBSA-N
XLogP2.16
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanoylamino]benzoate
CID 136687644
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenylpropanamide
CID 135417581
N-(3-bromophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 136687558
(2S)-2-[(5-cyano-4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-ethylphenyl)propanamide
CID 135552742
methyl 2-[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanoylamino]benzoate
CID 136687593
N-(4-ethylphenyl)-2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide
CID 44640027
(2S)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(4-ethylphenyl)propanamide
CID 7250744
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 136687567
ethyl 4-methyl-2-[[(2S)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanoyl]amino]-1,3-thiazole-5-carboxylate
CID 135925951
N-(4-ethylphenyl)-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]propanamide
CID 135623562
methyl 2-[2-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135734670
N-(4-ethylphenyl)-2-[[6-oxo-4-(propylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]propanamide
CID 136686891

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide (CID 135552583) is (2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide is CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(C)c(=O)[nH]2)cc1.
What is the InChIKey of (2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide?
The InChIKey is WMXRXNLNXXMDHQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-4-11-5-7-12(8-6-11)16-14(21)10(3)22-15-17-13(20)9(2)18-19-15/h5-8,10H,4H2,1-3H3,(H,16,21)(H,17,19,20)/t10-/m1/s1.
What are the key properties of (2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide?
(2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide has a molecular weight of 318.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 135552583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).