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

C8H10N2 — CID 91040809

IUPAC1,4,4a,7-tetrahydro-1,8-naphthyridine
SMILESC1=CC2CC=CNC2=NC1
InChIInChI=1S/C8H10N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1-3,6-7H,4-5H2,(H,9,10)
InChIKeyORWUFLIIIKDSEN-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.08
Rot. Bonds

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

1,4,4a,7-tetrahydro-1,8-naphthyridine (PubChem CID 91040809) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1,4,4a,7-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name1,4,4a,7-tetrahydro-1,8-naphthyridine
PubChem CID91040809
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1,4,4a,7-tetrahydro-1,8-naphthyridine
SMILESC1=CC2CC=CNC2=NC1
InChIInChI=1S/C8H10N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1-3,6-7H,4-5H2,(H,9,10)
InChIKeyORWUFLIIIKDSEN-UHFFFAOYSA-N
XLogP1.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Hexahydronaphthyridine
CID 55286145
Hexahydropyrido[2,3-d]pyrimidine
CID 56983375
3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine
CID 10080549
1,2,7a,11a-Tetrahydropyrimido[2,1-a]isoquinolin-5-ium
CID 134966954
2-(1,2,3,6-Tetrahydropyridin-4-yl)-1,4-dihydropyrimidine
CID 142529726
N-ethenyl-4-methyl-3,4-dihydropyridin-2-amine
CID 156242083
6,7-Dihydro-2,6-naphthyridin-1-amine
CID 164136635
3-Methyl-3a,8-dihydropyrrolo[2,3-b]azepine
CID 143713219

Frequently Asked Questions

What is the IUPAC name of 1,4,4a,7-tetrahydro-1,8-naphthyridine?
The IUPAC name of 1,4,4a,7-tetrahydro-1,8-naphthyridine (CID 91040809) is 1,4,4a,7-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 1,4,4a,7-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 1,4,4a,7-tetrahydro-1,8-naphthyridine is C1=CC2CC=CNC2=NC1.
What is the InChIKey of 1,4,4a,7-tetrahydro-1,8-naphthyridine?
The InChIKey is ORWUFLIIIKDSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1-3,6-7H,4-5H2,(H,9,10).
What are the key properties of 1,4,4a,7-tetrahydro-1,8-naphthyridine?
1,4,4a,7-tetrahydro-1,8-naphthyridine has a molecular weight of 134.18 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4a,7-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 91040809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).