4-(2-azaspiro[4.4]nonan-2-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine

C13H23N7 — CID 114279647

IUPAC4-(2-azaspiro[4.4]nonan-2-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(NN)nc(N2CCC3(CCCC3)C2)n1
InChIInChI=1S/C13H23N7/c1-19(2)11-15-10(18-14)16-12(17-11)20-8-7-13(9-20)5-3-4-6-13/h3-9,14H2,1-2H3,(H,15,16,17,18)
InChIKeyQMTOTFOQUSUOLS-UHFFFAOYSA-N
MW277.38 g/mol
LogP0.99
Rot. Bonds3

About 4-(2-azaspiro[4.4]nonan-2-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine

4-(2-azaspiro[4.4]nonan-2-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 114279647) has the molecular formula C13H23N7 and a molecular weight of 277.38 g/mol. Its IUPAC name is 4-(2-azaspiro[4.4]nonan-2-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-azaspiro[4.4]nonan-2-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID114279647
Molecular FormulaC13H23N7
Molecular Weight277.38 g/mol
Exact Mass277.20
IUPAC Name4-(2-azaspiro[4.4]nonan-2-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(NN)nc(N2CCC3(CCCC3)C2)n1
InChIInChI=1S/C13H23N7/c1-19(2)11-15-10(18-14)16-12(17-11)20-8-7-13(9-20)5-3-4-6-13/h3-9,14H2,1-2H3,(H,15,16,17,18)
InChIKeyQMTOTFOQUSUOLS-UHFFFAOYSA-N
XLogP0.99
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 50.99
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 4-(2-azaspiro[4.4]nonan-2-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-azaspiro[4.4]nonan-2-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine (CID 114279647) is 4-(2-azaspiro[4.4]nonan-2-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-azaspiro[4.4]nonan-2-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-azaspiro[4.4]nonan-2-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(NN)nc(N2CCC3(CCCC3)C2)n1.
What is the InChIKey of 4-(2-azaspiro[4.4]nonan-2-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is QMTOTFOQUSUOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7/c1-19(2)11-15-10(18-14)16-12(17-11)20-8-7-13(9-20)5-3-4-6-13/h3-9,14H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-(2-azaspiro[4.4]nonan-2-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
4-(2-azaspiro[4.4]nonan-2-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 277.38 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azaspiro[4.4]nonan-2-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 114279647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).