4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C9H15N9 — CID 83025136

IUPAC4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(NN(C)C)nc(-n2cncn2)n1
InChIInChI=1S/C9H15N9/c1-4-11-7-13-8(16-17(2)3)15-9(14-7)18-6-10-5-12-18/h5-6H,4H2,1-3H3,(H2,11,13,14,15,16)
InChIKeyKUPYIUXOUYPKSH-UHFFFAOYSA-N
MW249.28 g/mol
LogP-0.23
Rot. Bonds5

About 4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 83025136) has the molecular formula C9H15N9 and a molecular weight of 249.28 g/mol. Its IUPAC name is 4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID83025136
Molecular FormulaC9H15N9
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(NN(C)C)nc(-n2cncn2)n1
InChIInChI=1S/C9H15N9/c1-4-11-7-13-8(16-17(2)3)15-9(14-7)18-6-10-5-12-18/h5-6H,4H2,1-3H3,(H2,11,13,14,15,16)
InChIKeyKUPYIUXOUYPKSH-UHFFFAOYSA-N
XLogP-0.23
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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 4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 83025136) is 4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CCNc1nc(NN(C)C)nc(-n2cncn2)n1.
What is the InChIKey of 4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is KUPYIUXOUYPKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N9/c1-4-11-7-13-8(16-17(2)3)15-9(14-7)18-6-10-5-12-18/h5-6H,4H2,1-3H3,(H2,11,13,14,15,16).
What are the key properties of 4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 249.28 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83025136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).