3,5,8,8a-tetrahydro-1,7-naphthyridine

C8H10N2 — CID 91087833

IUPAC3,5,8,8a-tetrahydro-1,7-naphthyridine
SMILESC1=NCC2N=CCC=C2C1
InChIInChI=1S/C8H10N2/c1-2-7-3-5-9-6-8(7)10-4-1/h2,4-5,8H,1,3,6H2
InChIKeyIHXYSSMFIDOCRB-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.23
Rot. Bonds

About 3,5,8,8a-tetrahydro-1,7-naphthyridine

3,5,8,8a-tetrahydro-1,7-naphthyridine (PubChem CID 91087833) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3,5,8,8a-tetrahydro-1,7-naphthyridine.

Molecular Properties

Compound Name3,5,8,8a-tetrahydro-1,7-naphthyridine
PubChem CID91087833
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name3,5,8,8a-tetrahydro-1,7-naphthyridine
SMILESC1=NCC2N=CCC=C2C1
InChIInChI=1S/C8H10N2/c1-2-7-3-5-9-6-8(7)10-4-1/h2,4-5,8H,1,3,6H2
InChIKeyIHXYSSMFIDOCRB-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'}

Analyze 3,5,8,8a-tetrahydro-1,7-naphthyridine with MolForge

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

Launch Full Analysis

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
3,4,6,8a-Tetrahydro-1,7-naphthyridine
CID 90705893
3,5,8,8a-Tetrahydro-1,6-naphthyridine
CID 90723446
2,3,7,8-Tetrahydro-1,6-naphthyridine
CID 90931696
4,5,8,8a-Tetrahydropyrrolo[2,3-c]azepine
CID 91011601
3,4,6,8a-Tetrahydroquinoline
CID 91059768
7,7a-dihydro-3H-pyrrolo[2,3-c]pyridine
CID 91086728
3,5,6,7,8,8a-Hexahydroquinoline
CID 91149336
2,4a,7,8-Tetrahydro-1,5-naphthyridine
CID 91263735
4-(2,3,4,5-Tetrahydropyridin-2-yl)-2,5-dihydropyridine
CID 91284564

Frequently Asked Questions

What is the IUPAC name of 3,5,8,8a-tetrahydro-1,7-naphthyridine?
The IUPAC name of 3,5,8,8a-tetrahydro-1,7-naphthyridine (CID 91087833) is 3,5,8,8a-tetrahydro-1,7-naphthyridine.
What is the SMILES notation for 3,5,8,8a-tetrahydro-1,7-naphthyridine?
The canonical SMILES for 3,5,8,8a-tetrahydro-1,7-naphthyridine is C1=NCC2N=CCC=C2C1.
What is the InChIKey of 3,5,8,8a-tetrahydro-1,7-naphthyridine?
The InChIKey is IHXYSSMFIDOCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-7-3-5-9-6-8(7)10-4-1/h2,4-5,8H,1,3,6H2.
What are the key properties of 3,5,8,8a-tetrahydro-1,7-naphthyridine?
3,5,8,8a-tetrahydro-1,7-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-1,7-naphthyridine is sourced from PubChem (CID 91087833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).