1,2,3,4,6,8a-hexahydro-1,5-naphthyridine

C8H12N2 — CID 68747901

IUPAC1,2,3,4,6,8a-hexahydro-1,5-naphthyridine
SMILESC1=CC2NCCCC2=NC1
InChIInChI=1S/C8H12N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,3,7,10H,2,4-6H2
InChIKeyPHXKBEYJQAVZMB-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.75
Rot. Bonds

About 1,2,3,4,6,8a-hexahydro-1,5-naphthyridine

1,2,3,4,6,8a-hexahydro-1,5-naphthyridine (PubChem CID 68747901) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1,2,3,4,6,8a-hexahydro-1,5-naphthyridine.

Molecular Properties

Compound Name1,2,3,4,6,8a-hexahydro-1,5-naphthyridine
PubChem CID68747901
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1,2,3,4,6,8a-hexahydro-1,5-naphthyridine
SMILESC1=CC2NCCCC2=NC1
InChIInChI=1S/C8H12N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,3,7,10H,2,4-6H2
InChIKeyPHXKBEYJQAVZMB-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,8a-hexahydro-1,5-naphthyridine?
The IUPAC name of 1,2,3,4,6,8a-hexahydro-1,5-naphthyridine (CID 68747901) is 1,2,3,4,6,8a-hexahydro-1,5-naphthyridine.
What is the SMILES notation for 1,2,3,4,6,8a-hexahydro-1,5-naphthyridine?
The canonical SMILES for 1,2,3,4,6,8a-hexahydro-1,5-naphthyridine is C1=CC2NCCCC2=NC1.
What is the InChIKey of 1,2,3,4,6,8a-hexahydro-1,5-naphthyridine?
The InChIKey is PHXKBEYJQAVZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,3,7,10H,2,4-6H2.
What are the key properties of 1,2,3,4,6,8a-hexahydro-1,5-naphthyridine?
1,2,3,4,6,8a-hexahydro-1,5-naphthyridine has a molecular weight of 136.20 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,8a-hexahydro-1,5-naphthyridine is sourced from PubChem (CID 68747901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).