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

C10H17N5O3S — CID 107782924

IUPAC6-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]hexanehydrazide
SMILESCn1[nH]c(=O)c(=O)nc1SCCCCCC(=O)NN
InChIInChI=1S/C10H17N5O3S/c1-15-10(12-8(17)9(18)14-15)19-6-4-2-3-5-7(16)13-11/h2-6,11H2,1H3,(H,13,16)(H,14,18)
InChIKeyNYVMBNPIWXWMTH-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.89
Rot. Bonds7

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

6-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]hexanehydrazide (PubChem CID 107782924) has the molecular formula C10H17N5O3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 6-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]hexanehydrazide.

Molecular Properties

Compound Name6-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]hexanehydrazide
PubChem CID107782924
Molecular FormulaC10H17N5O3S
Molecular Weight287.34 g/mol
Exact Mass287.11
IUPAC Name6-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]hexanehydrazide
SMILESCn1[nH]c(=O)c(=O)nc1SCCCCCC(=O)NN
InChIInChI=1S/C10H17N5O3S/c1-15-10(12-8(17)9(18)14-15)19-6-4-2-3-5-7(16)13-11/h2-6,11H2,1H3,(H,13,16)(H,14,18)
InChIKeyNYVMBNPIWXWMTH-UHFFFAOYSA-N
XLogP-0.89
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 6-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]hexanehydrazide?
The IUPAC name of 6-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]hexanehydrazide (CID 107782924) is 6-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]hexanehydrazide.
What is the SMILES notation for 6-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]hexanehydrazide?
The canonical SMILES for 6-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]hexanehydrazide is Cn1[nH]c(=O)c(=O)nc1SCCCCCC(=O)NN.
What is the InChIKey of 6-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]hexanehydrazide?
The InChIKey is NYVMBNPIWXWMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-15-10(12-8(17)9(18)14-15)19-6-4-2-3-5-7(16)13-11/h2-6,11H2,1H3,(H,13,16)(H,14,18).
What are the key properties of 6-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]hexanehydrazide?
6-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]hexanehydrazide has a molecular weight of 287.34 g/mol, XLogP of -0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]hexanehydrazide is sourced from PubChem (CID 107782924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).