8-methyl-5,6,8-triazadispiro[2.0.24.33]nonane

C7H13N3 — CID 126563217

IUPAC8-methyl-5,6,8-triazadispiro[2.0.24.33]nonane
SMILESCN1CC2(CC2)C2(C1)NN2
InChIInChI=1S/C7H13N3/c1-10-4-6(2-3-6)7(5-10)8-9-7/h8-9H,2-5H2,1H3
InChIKeyNQUNRKKJILJNPL-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.48
Rot. Bonds

About 8-methyl-5,6,8-triazadispiro[2.0.24.33]nonane

8-methyl-5,6,8-triazadispiro[2.0.24.33]nonane (PubChem CID 126563217) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 8-methyl-5,6,8-triazadispiro[2.0.24.33]nonane.

Molecular Properties

Compound Name8-methyl-5,6,8-triazadispiro[2.0.24.33]nonane
PubChem CID126563217
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name8-methyl-5,6,8-triazadispiro[2.0.24.33]nonane
SMILESCN1CC2(CC2)C2(C1)NN2
InChIInChI=1S/C7H13N3/c1-10-4-6(2-3-6)7(5-10)8-9-7/h8-9H,2-5H2,1H3
InChIKeyNQUNRKKJILJNPL-UHFFFAOYSA-N
XLogP-0.48
TPSA47.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5,6,8-triazadispiro[2.0.24.33]nonane?
The IUPAC name of 8-methyl-5,6,8-triazadispiro[2.0.24.33]nonane (CID 126563217) is 8-methyl-5,6,8-triazadispiro[2.0.24.33]nonane.
What is the SMILES notation for 8-methyl-5,6,8-triazadispiro[2.0.24.33]nonane?
The canonical SMILES for 8-methyl-5,6,8-triazadispiro[2.0.24.33]nonane is CN1CC2(CC2)C2(C1)NN2.
What is the InChIKey of 8-methyl-5,6,8-triazadispiro[2.0.24.33]nonane?
The InChIKey is NQUNRKKJILJNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-10-4-6(2-3-6)7(5-10)8-9-7/h8-9H,2-5H2,1H3.
What are the key properties of 8-methyl-5,6,8-triazadispiro[2.0.24.33]nonane?
8-methyl-5,6,8-triazadispiro[2.0.24.33]nonane has a molecular weight of 139.20 g/mol, XLogP of -0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5,6,8-triazadispiro[2.0.24.33]nonane is sourced from PubChem (CID 126563217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).