3,5,8,8a-tetrahydro-1,6-naphthyridine

C8H10N2 — CID 90723446

IUPAC3,5,8,8a-tetrahydro-1,6-naphthyridine
SMILESC1=NCC2=CCC=NC2C1
InChIInChI=1S/C8H10N2/c1-2-7-6-9-5-3-8(7)10-4-1/h2,4-5,8H,1,3,6H2
InChIKeyHVVQGOANACNRQN-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.23
Rot. Bonds

About 3,5,8,8a-tetrahydro-1,6-naphthyridine

3,5,8,8a-tetrahydro-1,6-naphthyridine (PubChem CID 90723446) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3,5,8,8a-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Name3,5,8,8a-tetrahydro-1,6-naphthyridine
PubChem CID90723446
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name3,5,8,8a-tetrahydro-1,6-naphthyridine
SMILESC1=NCC2=CCC=NC2C1
InChIInChI=1S/C8H10N2/c1-2-7-6-9-5-3-8(7)10-4-1/h2,4-5,8H,1,3,6H2
InChIKeyHVVQGOANACNRQN-UHFFFAOYSA-N
XLogP1.23
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5,6,8a-Tetrahydroquinoline
CID 90716025
3,5,8,8a-Tetrahydroquinoline
CID 54491121
6-methylidene-4,7-dihydro-1H-isoquinoline
CID 57125600
2,3-Diethyl-2,5-dihydropyridine
CID 57226784
3,7,8,8a-Tetrahydroquinoline
CID 57279747
5-Nitroso-3,5,8,8a-tetrahydroquinoline
CID 57314763
3,4,6,8a-Tetrahydro-1,7-naphthyridine
CID 90705893
3,5,8,8a-Tetrahydroquinolin-5-amine
CID 90810515
1,2,3,5,8,8a-Hexahydro-1,6-naphthyridine
CID 90884865
2,3,7,8-Tetrahydro-1,6-naphthyridine
CID 90931696
3,4,5,8-Tetrahydro-1,6-naphthyridine
CID 91015384
3,4,6,8a-Tetrahydroquinoline
CID 91059768

Frequently Asked Questions

What is the IUPAC name of 3,5,8,8a-tetrahydro-1,6-naphthyridine?
The IUPAC name of 3,5,8,8a-tetrahydro-1,6-naphthyridine (CID 90723446) is 3,5,8,8a-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for 3,5,8,8a-tetrahydro-1,6-naphthyridine?
The canonical SMILES for 3,5,8,8a-tetrahydro-1,6-naphthyridine is C1=NCC2=CCC=NC2C1.
What is the InChIKey of 3,5,8,8a-tetrahydro-1,6-naphthyridine?
The InChIKey is HVVQGOANACNRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-7-6-9-5-3-8(7)10-4-1/h2,4-5,8H,1,3,6H2.
What are the key properties of 3,5,8,8a-tetrahydro-1,6-naphthyridine?
3,5,8,8a-tetrahydro-1,6-naphthyridine has a molecular weight of 134.18 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,8,8a-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 90723446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).