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

C7H11N5O3S — CID 107782914

IUPAC3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]propanehydrazide
SMILESCn1[nH]c(=O)c(=O)nc1SCCC(=O)NN
InChIInChI=1S/C7H11N5O3S/c1-12-7(9-5(14)6(15)11-12)16-3-2-4(13)10-8/h2-3,8H2,1H3,(H,10,13)(H,11,15)
InChIKeyQWPCGMQTVIXPLU-UHFFFAOYSA-N
MW245.26 g/mol
LogP-2.06
Rot. Bonds4

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

3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]propanehydrazide (PubChem CID 107782914) has the molecular formula C7H11N5O3S and a molecular weight of 245.26 g/mol. Its IUPAC name is 3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]propanehydrazide.

Molecular Properties

Compound Name3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]propanehydrazide
PubChem CID107782914
Molecular FormulaC7H11N5O3S
Molecular Weight245.26 g/mol
Exact Mass245.06
IUPAC Name3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]propanehydrazide
SMILESCn1[nH]c(=O)c(=O)nc1SCCC(=O)NN
InChIInChI=1S/C7H11N5O3S/c1-12-7(9-5(14)6(15)11-12)16-3-2-4(13)10-8/h2-3,8H2,1H3,(H,10,13)(H,11,15)
InChIKeyQWPCGMQTVIXPLU-UHFFFAOYSA-N
XLogP-2.06
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-2.06
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 3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]propanehydrazide?
The IUPAC name of 3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]propanehydrazide (CID 107782914) is 3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]propanehydrazide.
What is the SMILES notation for 3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]propanehydrazide?
The canonical SMILES for 3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]propanehydrazide is Cn1[nH]c(=O)c(=O)nc1SCCC(=O)NN.
What is the InChIKey of 3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]propanehydrazide?
The InChIKey is QWPCGMQTVIXPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3S/c1-12-7(9-5(14)6(15)11-12)16-3-2-4(13)10-8/h2-3,8H2,1H3,(H,10,13)(H,11,15).
What are the key properties of 3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]propanehydrazide?
3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]propanehydrazide has a molecular weight of 245.26 g/mol, XLogP of -2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]propanehydrazide is sourced from PubChem (CID 107782914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).