4,6-dihydrazinyl-N-naphthalen-1-yl-1,3,5-triazin-2-amine

C13H14N8 — CID 709140

IUPAC4,6-dihydrazinyl-N-naphthalen-1-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(NN)nc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C13H14N8/c14-20-12-17-11(18-13(19-12)21-15)16-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,14-15H2,(H3,16,17,18,19,20,21)
InChIKeyZZFYQNCORQVGLN-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.34
Rot. Bonds4

About 4,6-dihydrazinyl-N-naphthalen-1-yl-1,3,5-triazin-2-amine

4,6-dihydrazinyl-N-naphthalen-1-yl-1,3,5-triazin-2-amine (PubChem CID 709140) has the molecular formula C13H14N8 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4,6-dihydrazinyl-N-naphthalen-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dihydrazinyl-N-naphthalen-1-yl-1,3,5-triazin-2-amine
PubChem CID709140
Molecular FormulaC13H14N8
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name4,6-dihydrazinyl-N-naphthalen-1-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(NN)nc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C13H14N8/c14-20-12-17-11(18-13(19-12)21-15)16-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,14-15H2,(H3,16,17,18,19,20,21)
InChIKeyZZFYQNCORQVGLN-UHFFFAOYSA-N
XLogP1.34
TPSA126.80 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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 4,6-dihydrazinyl-N-naphthalen-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dihydrazinyl-N-naphthalen-1-yl-1,3,5-triazin-2-amine (CID 709140) is 4,6-dihydrazinyl-N-naphthalen-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dihydrazinyl-N-naphthalen-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dihydrazinyl-N-naphthalen-1-yl-1,3,5-triazin-2-amine is NNc1nc(NN)nc(Nc2cccc3ccccc23)n1.
What is the InChIKey of 4,6-dihydrazinyl-N-naphthalen-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ZZFYQNCORQVGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8/c14-20-12-17-11(18-13(19-12)21-15)16-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,14-15H2,(H3,16,17,18,19,20,21).
What are the key properties of 4,6-dihydrazinyl-N-naphthalen-1-yl-1,3,5-triazin-2-amine?
4,6-dihydrazinyl-N-naphthalen-1-yl-1,3,5-triazin-2-amine has a molecular weight of 282.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydrazinyl-N-naphthalen-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 709140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).