2,4a,5,8-tetrahydro-1,7-naphthyridine

C8H10N2 — CID 90736280

IUPAC2,4a,5,8-tetrahydro-1,7-naphthyridine
SMILESC1=CC2CC=NCC2=NC1
InChIInChI=1S/C8H10N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1-2,5,7H,3-4,6H2
InChIKeyZRLULQVXSJAQGQ-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.09
Rot. Bonds

About 2,4a,5,8-tetrahydro-1,7-naphthyridine

2,4a,5,8-tetrahydro-1,7-naphthyridine (PubChem CID 90736280) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2,4a,5,8-tetrahydro-1,7-naphthyridine.

Molecular Properties

Compound Name2,4a,5,8-tetrahydro-1,7-naphthyridine
PubChem CID90736280
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2,4a,5,8-tetrahydro-1,7-naphthyridine
SMILESC1=CC2CC=NCC2=NC1
InChIInChI=1S/C8H10N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1-2,5,7H,3-4,6H2
InChIKeyZRLULQVXSJAQGQ-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
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

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3,4,4a,7-Tetrahydroisoquinoline
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(4aS,8aS)-3,4,4a,8a-tetrahydroquinoline
CID 53824787
3,4,4a,8a-Tetrahydroquinoline
CID 54092524
(8aS)-3,4,4a,8a-tetrahydroquinoline
CID 56628707
2,3,4,4a,5,8-Hexahydroquinoline
CID 57072516
4,4a,4b,5,6,8a-hexahydro-1H-pyrido[3,4-b]indole
CID 57132388
(8aR)-3,4,4a,8a-tetrahydroquinoline
CID 57135717
3,4,4a,5,6,8a-Hexahydroisoquinoline
CID 57198919
3a,4,6,9,9a,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline
CID 57290287
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CID 89208907

Frequently Asked Questions

What is the IUPAC name of 2,4a,5,8-tetrahydro-1,7-naphthyridine?
The IUPAC name of 2,4a,5,8-tetrahydro-1,7-naphthyridine (CID 90736280) is 2,4a,5,8-tetrahydro-1,7-naphthyridine.
What is the SMILES notation for 2,4a,5,8-tetrahydro-1,7-naphthyridine?
The canonical SMILES for 2,4a,5,8-tetrahydro-1,7-naphthyridine is C1=CC2CC=NCC2=NC1.
What is the InChIKey of 2,4a,5,8-tetrahydro-1,7-naphthyridine?
The InChIKey is ZRLULQVXSJAQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1-2,5,7H,3-4,6H2.
What are the key properties of 2,4a,5,8-tetrahydro-1,7-naphthyridine?
2,4a,5,8-tetrahydro-1,7-naphthyridine has a molecular weight of 134.18 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4a,5,8-tetrahydro-1,7-naphthyridine is sourced from PubChem (CID 90736280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).