6-(2,2-dimethylhydrazinyl)-2H-1,2,4-triazine-3,5-dione

C5H9N5O2 — CID 83025629

IUPAC6-(2,2-dimethylhydrazinyl)-2H-1,2,4-triazine-3,5-dione
SMILESCN(C)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H9N5O2/c1-10(2)9-3-4(11)6-5(12)8-7-3/h1-2H3,(H,7,9)(H2,6,8,11,12)
InChIKeyAPDIPLFPVQAROR-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.65
Rot. Bonds2

About 6-(2,2-dimethylhydrazinyl)-2H-1,2,4-triazine-3,5-dione

6-(2,2-dimethylhydrazinyl)-2H-1,2,4-triazine-3,5-dione (PubChem CID 83025629) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is 6-(2,2-dimethylhydrazinyl)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2,2-dimethylhydrazinyl)-2H-1,2,4-triazine-3,5-dione
PubChem CID83025629
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name6-(2,2-dimethylhydrazinyl)-2H-1,2,4-triazine-3,5-dione
SMILESCN(C)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H9N5O2/c1-10(2)9-3-4(11)6-5(12)8-7-3/h1-2H3,(H,7,9)(H2,6,8,11,12)
InChIKeyAPDIPLFPVQAROR-UHFFFAOYSA-N
XLogP-1.65
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylhydrazinyl)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2,2-dimethylhydrazinyl)-2H-1,2,4-triazine-3,5-dione (CID 83025629) is 6-(2,2-dimethylhydrazinyl)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2,2-dimethylhydrazinyl)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2,2-dimethylhydrazinyl)-2H-1,2,4-triazine-3,5-dione is CN(C)Nc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(2,2-dimethylhydrazinyl)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is APDIPLFPVQAROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c1-10(2)9-3-4(11)6-5(12)8-7-3/h1-2H3,(H,7,9)(H2,6,8,11,12).
What are the key properties of 6-(2,2-dimethylhydrazinyl)-2H-1,2,4-triazine-3,5-dione?
6-(2,2-dimethylhydrazinyl)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 171.16 g/mol, XLogP of -1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylhydrazinyl)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 83025629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).