2-methyl-5-oxo-3-sulfanyl-3,4-dihydro-1,2,4-triazine-6-carboxamide

C5H8N4O2S — CID 88720930

IUPAC2-methyl-5-oxo-3-sulfanyl-3,4-dihydro-1,2,4-triazine-6-carboxamide
SMILESCN1N=C(C(N)=O)C(=O)NC1S
InChIInChI=1S/C5H8N4O2S/c1-9-5(12)7-4(11)2(8-9)3(6)10/h5,12H,1H3,(H2,6,10)(H,7,11)
InChIKeyXKOUWPLFINVGPO-UHFFFAOYSA-N
MW188.21 g/mol
LogP-1.90
Rot. Bonds1

About 2-methyl-5-oxo-3-sulfanyl-3,4-dihydro-1,2,4-triazine-6-carboxamide

2-methyl-5-oxo-3-sulfanyl-3,4-dihydro-1,2,4-triazine-6-carboxamide (PubChem CID 88720930) has the molecular formula C5H8N4O2S and a molecular weight of 188.21 g/mol. Its IUPAC name is 2-methyl-5-oxo-3-sulfanyl-3,4-dihydro-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-5-oxo-3-sulfanyl-3,4-dihydro-1,2,4-triazine-6-carboxamide
PubChem CID88720930
Molecular FormulaC5H8N4O2S
Molecular Weight188.21 g/mol
Exact Mass188.04
IUPAC Name2-methyl-5-oxo-3-sulfanyl-3,4-dihydro-1,2,4-triazine-6-carboxamide
SMILESCN1N=C(C(N)=O)C(=O)NC1S
InChIInChI=1S/C5H8N4O2S/c1-9-5(12)7-4(11)2(8-9)3(6)10/h5,12H,1H3,(H2,6,10)(H,7,11)
InChIKeyXKOUWPLFINVGPO-UHFFFAOYSA-N
XLogP-1.90
TPSA87.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxo-3-sulfanyl-3,4-dihydro-1,2,4-triazine-6-carboxamide?
The IUPAC name of 2-methyl-5-oxo-3-sulfanyl-3,4-dihydro-1,2,4-triazine-6-carboxamide (CID 88720930) is 2-methyl-5-oxo-3-sulfanyl-3,4-dihydro-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 2-methyl-5-oxo-3-sulfanyl-3,4-dihydro-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 2-methyl-5-oxo-3-sulfanyl-3,4-dihydro-1,2,4-triazine-6-carboxamide is CN1N=C(C(N)=O)C(=O)NC1S.
What is the InChIKey of 2-methyl-5-oxo-3-sulfanyl-3,4-dihydro-1,2,4-triazine-6-carboxamide?
The InChIKey is XKOUWPLFINVGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2S/c1-9-5(12)7-4(11)2(8-9)3(6)10/h5,12H,1H3,(H2,6,10)(H,7,11).
What are the key properties of 2-methyl-5-oxo-3-sulfanyl-3,4-dihydro-1,2,4-triazine-6-carboxamide?
2-methyl-5-oxo-3-sulfanyl-3,4-dihydro-1,2,4-triazine-6-carboxamide has a molecular weight of 188.21 g/mol, XLogP of -1.90, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-3-sulfanyl-3,4-dihydro-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 88720930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).