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2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide

C17H16N4O2S — CID 135516087

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide
SMILESCc1nnc(SC(C)C(=O)Nc2ccc3ccccc3c2)[nH]c1=O
InChIInChI=1S/C17H16N4O2S/c1-10-15(22)19-17(21-20-10)24-11(2)16(23)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,1-2H3,(H,18,23)(H,19,21,22)
InChIKeyAXTCEYPRJIGOBI-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.75
Rot. Bonds4

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

2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide (PubChem CID 135516087) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide
PubChem CID135516087
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide
SMILESCc1nnc(SC(C)C(=O)Nc2ccc3ccccc3c2)[nH]c1=O
InChIInChI=1S/C17H16N4O2S/c1-10-15(22)19-17(21-20-10)24-11(2)16(23)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,1-2H3,(H,18,23)(H,19,21,22)
InChIKeyAXTCEYPRJIGOBI-UHFFFAOYSA-N
XLogP2.75
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide?
The IUPAC name of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide (CID 135516087) is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide is Cc1nnc(SC(C)C(=O)Nc2ccc3ccccc3c2)[nH]c1=O.
What is the InChIKey of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide?
The InChIKey is AXTCEYPRJIGOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10-15(22)19-17(21-20-10)24-11(2)16(23)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,1-2H3,(H,18,23)(H,19,21,22).
What are the key properties of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide?
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide has a molecular weight of 340.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 135516087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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