2,4a,5,6,7,8-hexahydro-1,6-naphthyridine

C8H12N2 — CID 90707339

IUPAC2,4a,5,6,7,8-hexahydro-1,6-naphthyridine
SMILESC1=CC2CNCCC2=NC1
InChIInChI=1S/C8H12N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-2,7,9H,3-6H2
InChIKeySPLTYIMVDWWVSI-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.61
Rot. Bonds

About 2,4a,5,6,7,8-hexahydro-1,6-naphthyridine

2,4a,5,6,7,8-hexahydro-1,6-naphthyridine (PubChem CID 90707339) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2,4a,5,6,7,8-hexahydro-1,6-naphthyridine.

Molecular Properties

Compound Name2,4a,5,6,7,8-hexahydro-1,6-naphthyridine
PubChem CID90707339
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2,4a,5,6,7,8-hexahydro-1,6-naphthyridine
SMILESC1=CC2CNCCC2=NC1
InChIInChI=1S/C8H12N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-2,7,9H,3-6H2
InChIKeySPLTYIMVDWWVSI-UHFFFAOYSA-N
XLogP0.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,4a,5,6,7,8-hexahydro-1,6-naphthyridine?
The IUPAC name of 2,4a,5,6,7,8-hexahydro-1,6-naphthyridine (CID 90707339) is 2,4a,5,6,7,8-hexahydro-1,6-naphthyridine.
What is the SMILES notation for 2,4a,5,6,7,8-hexahydro-1,6-naphthyridine?
The canonical SMILES for 2,4a,5,6,7,8-hexahydro-1,6-naphthyridine is C1=CC2CNCCC2=NC1.
What is the InChIKey of 2,4a,5,6,7,8-hexahydro-1,6-naphthyridine?
The InChIKey is SPLTYIMVDWWVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-2,7,9H,3-6H2.
What are the key properties of 2,4a,5,6,7,8-hexahydro-1,6-naphthyridine?
2,4a,5,6,7,8-hexahydro-1,6-naphthyridine has a molecular weight of 136.20 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4a,5,6,7,8-hexahydro-1,6-naphthyridine is sourced from PubChem (CID 90707339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).