N-(furan-2-ylmethyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide

C11H12N4O3S — CID 135399045

IUPACN-(furan-2-ylmethyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCc2ccco2)[nH]c1=O
InChIInChI=1S/C11H12N4O3S/c1-7-10(17)13-11(15-14-7)19-6-9(16)12-5-8-3-2-4-18-8/h2-4H,5-6H2,1H3,(H,12,16)(H,13,15,17)
InChIKeyPIKQQQDJZFAMOT-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.47
Rot. Bonds5

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

N-(furan-2-ylmethyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 135399045) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
PubChem CID135399045
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC NameN-(furan-2-ylmethyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCc2ccco2)[nH]c1=O
InChIInChI=1S/C11H12N4O3S/c1-7-10(17)13-11(15-14-7)19-6-9(16)12-5-8-3-2-4-18-8/h2-4H,5-6H2,1H3,(H,12,16)(H,13,15,17)
InChIKeyPIKQQQDJZFAMOT-UHFFFAOYSA-N
XLogP0.47
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-Furan-2-ylmethyl-2-{[(furan-2-ylmethyl)-carbamoyl]-methylsulfanyl}-acetamide
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N-(furan-2-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 135399045) is N-(furan-2-ylmethyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NCc2ccco2)[nH]c1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The InChIKey is PIKQQQDJZFAMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-7-10(17)13-11(15-14-7)19-6-9(16)12-5-8-3-2-4-18-8/h2-4H,5-6H2,1H3,(H,12,16)(H,13,15,17).
What are the key properties of N-(furan-2-ylmethyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 280.31 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 135399045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).