2-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]acetohydrazide

C6H9N5O3S — CID 107782915

IUPAC2-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]acetohydrazide
SMILESCn1[nH]c(=O)c(=O)nc1SCC(=O)NN
InChIInChI=1S/C6H9N5O3S/c1-11-6(15-2-3(12)9-7)8-4(13)5(14)10-11/h2,7H2,1H3,(H,9,12)(H,10,14)
InChIKeyYOIPXWXBQHHWFN-UHFFFAOYSA-N
MW231.24 g/mol
LogP-2.45
Rot. Bonds3

About 2-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]acetohydrazide

2-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]acetohydrazide (PubChem CID 107782915) has the molecular formula C6H9N5O3S and a molecular weight of 231.24 g/mol. Its IUPAC name is 2-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]acetohydrazide
PubChem CID107782915
Molecular FormulaC6H9N5O3S
Molecular Weight231.24 g/mol
Exact Mass231.04
IUPAC Name2-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]acetohydrazide
SMILESCn1[nH]c(=O)c(=O)nc1SCC(=O)NN
InChIInChI=1S/C6H9N5O3S/c1-11-6(15-2-3(12)9-7)8-4(13)5(14)10-11/h2,7H2,1H3,(H,9,12)(H,10,14)
InChIKeyYOIPXWXBQHHWFN-UHFFFAOYSA-N
XLogP-2.45
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 5-2.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]acetohydrazide?
The IUPAC name of 2-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]acetohydrazide (CID 107782915) is 2-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]acetohydrazide.
What is the SMILES notation for 2-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]acetohydrazide?
The canonical SMILES for 2-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]acetohydrazide is Cn1[nH]c(=O)c(=O)nc1SCC(=O)NN.
What is the InChIKey of 2-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]acetohydrazide?
The InChIKey is YOIPXWXBQHHWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O3S/c1-11-6(15-2-3(12)9-7)8-4(13)5(14)10-11/h2,7H2,1H3,(H,9,12)(H,10,14).
What are the key properties of 2-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]acetohydrazide?
2-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]acetohydrazide has a molecular weight of 231.24 g/mol, XLogP of -2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]acetohydrazide is sourced from PubChem (CID 107782915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).