6-hydrazinyl-2,4-dimethyl-1,2,4-triazine-3,5-dione

C5H9N5O2 — CID 15268101

IUPAC6-hydrazinyl-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NN)c(=O)n(C)c1=O
InChIInChI=1S/C5H9N5O2/c1-9-4(11)3(7-6)8-10(2)5(9)12/h6H2,1-2H3,(H,7,8)
InChIKeyMLEVAFOVOOWHAK-UHFFFAOYSA-N
MW171.16 g/mol
LogP-2.24
Rot. Bonds1

About 6-hydrazinyl-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-hydrazinyl-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 15268101) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is 6-hydrazinyl-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-hydrazinyl-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID15268101
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name6-hydrazinyl-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NN)c(=O)n(C)c1=O
InChIInChI=1S/C5H9N5O2/c1-9-4(11)3(7-6)8-10(2)5(9)12/h6H2,1-2H3,(H,7,8)
InChIKeyMLEVAFOVOOWHAK-UHFFFAOYSA-N
XLogP-2.24
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-2.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-hydrazinyl-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-hydrazinyl-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 15268101) is 6-hydrazinyl-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-hydrazinyl-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-hydrazinyl-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NN)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydrazinyl-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is MLEVAFOVOOWHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c1-9-4(11)3(7-6)8-10(2)5(9)12/h6H2,1-2H3,(H,7,8).
What are the key properties of 6-hydrazinyl-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-hydrazinyl-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 171.16 g/mol, XLogP of -2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 15268101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).