5-(2-hydroxyphenyl)-2-methyl-3-sulfanylidene-1H-1,2,4-triazin-6-one

C10H9N3O2S — CID 165343905

IUPAC5-(2-hydroxyphenyl)-2-methyl-3-sulfanylidene-1H-1,2,4-triazin-6-one
SMILESCn1[nH]c(=O)c(-c2ccccc2O)nc1=S
InChIInChI=1S/C10H9N3O2S/c1-13-10(16)11-8(9(15)12-13)6-4-2-3-5-7(6)14/h2-5,14H,1H3,(H,12,15)
InChIKeyZULKDTUEQACNKG-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.21
Rot. Bonds1

About 5-(2-hydroxyphenyl)-2-methyl-3-sulfanylidene-1H-1,2,4-triazin-6-one

5-(2-hydroxyphenyl)-2-methyl-3-sulfanylidene-1H-1,2,4-triazin-6-one (PubChem CID 165343905) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 5-(2-hydroxyphenyl)-2-methyl-3-sulfanylidene-1H-1,2,4-triazin-6-one.

Molecular Properties

Compound Name5-(2-hydroxyphenyl)-2-methyl-3-sulfanylidene-1H-1,2,4-triazin-6-one
PubChem CID165343905
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name5-(2-hydroxyphenyl)-2-methyl-3-sulfanylidene-1H-1,2,4-triazin-6-one
SMILESCn1[nH]c(=O)c(-c2ccccc2O)nc1=S
InChIInChI=1S/C10H9N3O2S/c1-13-10(16)11-8(9(15)12-13)6-4-2-3-5-7(6)14/h2-5,14H,1H3,(H,12,15)
InChIKeyZULKDTUEQACNKG-UHFFFAOYSA-N
XLogP1.21
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyphenyl)-2-methyl-3-sulfanylidene-1H-1,2,4-triazin-6-one?
The IUPAC name of 5-(2-hydroxyphenyl)-2-methyl-3-sulfanylidene-1H-1,2,4-triazin-6-one (CID 165343905) is 5-(2-hydroxyphenyl)-2-methyl-3-sulfanylidene-1H-1,2,4-triazin-6-one.
What is the SMILES notation for 5-(2-hydroxyphenyl)-2-methyl-3-sulfanylidene-1H-1,2,4-triazin-6-one?
The canonical SMILES for 5-(2-hydroxyphenyl)-2-methyl-3-sulfanylidene-1H-1,2,4-triazin-6-one is Cn1[nH]c(=O)c(-c2ccccc2O)nc1=S.
What is the InChIKey of 5-(2-hydroxyphenyl)-2-methyl-3-sulfanylidene-1H-1,2,4-triazin-6-one?
The InChIKey is ZULKDTUEQACNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-13-10(16)11-8(9(15)12-13)6-4-2-3-5-7(6)14/h2-5,14H,1H3,(H,12,15).
What are the key properties of 5-(2-hydroxyphenyl)-2-methyl-3-sulfanylidene-1H-1,2,4-triazin-6-one?
5-(2-hydroxyphenyl)-2-methyl-3-sulfanylidene-1H-1,2,4-triazin-6-one has a molecular weight of 235.27 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyphenyl)-2-methyl-3-sulfanylidene-1H-1,2,4-triazin-6-one is sourced from PubChem (CID 165343905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).