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

C8H12N2 — CID 55286145

IUPAC1,4,4a,5,6,7-hexahydro-1,8-naphthyridine
SMILESC1=CNC2=NCCCC2C1
InChIInChI=1S/C8H12N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1,5,7H,2-4,6H2,(H,9,10)
InChIKeyFAWYVVOYWSXAIL-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.30
Rot. Bonds

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

1,4,4a,5,6,7-hexahydro-1,8-naphthyridine (PubChem CID 55286145) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1,4,4a,5,6,7-hexahydro-1,8-naphthyridine.

Molecular Properties

Compound Name1,4,4a,5,6,7-hexahydro-1,8-naphthyridine
PubChem CID55286145
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1,4,4a,5,6,7-hexahydro-1,8-naphthyridine
SMILESC1=CNC2=NCCCC2C1
InChIInChI=1S/C8H12N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1,5,7H,2-4,6H2,(H,9,10)
InChIKeyFAWYVVOYWSXAIL-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,4,4a,5,6,7-hexahydro-1,8-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,4a,5,6,7-hexahydro-1,8-naphthyridine?
The IUPAC name of 1,4,4a,5,6,7-hexahydro-1,8-naphthyridine (CID 55286145) is 1,4,4a,5,6,7-hexahydro-1,8-naphthyridine.
What is the SMILES notation for 1,4,4a,5,6,7-hexahydro-1,8-naphthyridine?
The canonical SMILES for 1,4,4a,5,6,7-hexahydro-1,8-naphthyridine is C1=CNC2=NCCCC2C1.
What is the InChIKey of 1,4,4a,5,6,7-hexahydro-1,8-naphthyridine?
The InChIKey is FAWYVVOYWSXAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1,5,7H,2-4,6H2,(H,9,10).
What are the key properties of 1,4,4a,5,6,7-hexahydro-1,8-naphthyridine?
1,4,4a,5,6,7-hexahydro-1,8-naphthyridine has a molecular weight of 136.20 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4a,5,6,7-hexahydro-1,8-naphthyridine is sourced from PubChem (CID 55286145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).