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

C4H5N3OS — CID 1263666

IUPAC6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
SMILESCc1n[nH]c(=S)[nH]c1=O
InChIInChI=1S/C4H5N3OS/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)
InChIKeyNKOPQOSBROLOFP-UHFFFAOYSA-N
MW143.17 g/mol
LogP0.14
Rot. Bonds

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

6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one (PubChem CID 1263666) has the molecular formula C4H5N3OS and a molecular weight of 143.17 g/mol. Its IUPAC name is 6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
PubChem CID1263666
Molecular FormulaC4H5N3OS
Molecular Weight143.17 g/mol
Exact Mass143.02
IUPAC Name6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
SMILESCc1n[nH]c(=S)[nH]c1=O
InChIInChI=1S/C4H5N3OS/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)
InChIKeyNKOPQOSBROLOFP-UHFFFAOYSA-N
XLogP0.14
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-6-methyl-3-sulfanyl-4,5-dihydro-1,2,4-triazin-5-one
CID 1284234
6-Methyl-3-sulfanylidene-1,2-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
CID 135427648
2,6-Dimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine
CID 3449717
N-(6-methyl-5-oxo-3-sulfanyl-1,2,4-triazin-4(5H)-yl)acetamide
CID 1234931
4,6-dimethyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 13124848
6-ethyl-3-thioxo-2H,4H-1,2,4-triazin-5-one
CID 12256278
3,4-Dihydro-6-(1-methylethyl)-3-thioxo-1,2,4-triazin-5(2H)-one
CID 15357017
6-propyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 118534614
2-Iodo-6-methyl-3-sulfanylidene-1,2,4-triazin-5-one
CID 154939671
Gold(1+);6-methyl-3-sulfanylidene-1,4-diaza-2-azanidacyclohex-6-en-5-one
CID 174841520
gold;6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 174841521
CID 16211784
CID 16211784

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one (CID 1263666) is 6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one is Cc1n[nH]c(=S)[nH]c1=O.
What is the InChIKey of 6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The InChIKey is NKOPQOSBROLOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3OS/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9).
What are the key properties of 6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one?
6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one has a molecular weight of 143.17 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one is sourced from PubChem (CID 1263666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).