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

C7H13N5O2 — CID 83025446

IUPAC6-(2,2-dimethylhydrazinyl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN(C)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C7H13N5O2/c1-10(2)8-5-6(13)11(3)7(14)12(4)9-5/h1-4H3,(H,8,9)
InChIKeyINMQITOMGNVTRZ-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.63
Rot. Bonds2

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

6-(2,2-dimethylhydrazinyl)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 83025446) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 6-(2,2-dimethylhydrazinyl)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2,2-dimethylhydrazinyl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID83025446
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name6-(2,2-dimethylhydrazinyl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN(C)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C7H13N5O2/c1-10(2)8-5-6(13)11(3)7(14)12(4)9-5/h1-4H3,(H,8,9)
InChIKeyINMQITOMGNVTRZ-UHFFFAOYSA-N
XLogP-1.63
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2,2-dimethylhydrazinyl)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 83025446) is 6-(2,2-dimethylhydrazinyl)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2,2-dimethylhydrazinyl)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2,2-dimethylhydrazinyl)-2,4-dimethyl-1,2,4-triazine-3,5-dione is CN(C)Nc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-(2,2-dimethylhydrazinyl)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is INMQITOMGNVTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-10(2)8-5-6(13)11(3)7(14)12(4)9-5/h1-4H3,(H,8,9).
What are the key properties of 6-(2,2-dimethylhydrazinyl)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(2,2-dimethylhydrazinyl)-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 199.21 g/mol, XLogP of -1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylhydrazinyl)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 83025446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).