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

C8H10N2 — CID 91263735

IUPAC2,4a,7,8-tetrahydro-1,5-naphthyridine
SMILESC1=CC2N=CCCC2=NC1
InChIInChI=1S/C8H10N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,3,6-7H,2,4-5H2
InChIKeyXIDGRVGFAOZRPH-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.23
Rot. Bonds

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

2,4a,7,8-tetrahydro-1,5-naphthyridine (PubChem CID 91263735) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2,4a,7,8-tetrahydro-1,5-naphthyridine.

Molecular Properties

Compound Name2,4a,7,8-tetrahydro-1,5-naphthyridine
PubChem CID91263735
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2,4a,7,8-tetrahydro-1,5-naphthyridine
SMILESC1=CC2N=CCCC2=NC1
InChIInChI=1S/C8H10N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,3,6-7H,2,4-5H2
InChIKeyXIDGRVGFAOZRPH-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

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3,5,8,8a-Tetrahydroquinoline
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6-(2,5-Dihydropyridin-6-yl)-2,5-dihydropyridine
CID 56999028
1,2,3,4,4a,6,9,9a-Octahydrophenazine
CID 57006458
3,7,8,8a-Tetrahydroquinoline
CID 57279747
4a,5,8,8a-Tetrahydroquinoxaline
CID 58901459
2,3,4,4a-Tetrahydro-1,5-naphthyridine
CID 68052703
3,4,6,8a-Tetrahydro-1,7-naphthyridine
CID 90705893
3,5,8,8a-Tetrahydro-1,6-naphthyridine
CID 90723446
2,4a,5,8-Tetrahydro-1,7-naphthyridine
CID 90736280

Frequently Asked Questions

What is the IUPAC name of 2,4a,7,8-tetrahydro-1,5-naphthyridine?
The IUPAC name of 2,4a,7,8-tetrahydro-1,5-naphthyridine (CID 91263735) is 2,4a,7,8-tetrahydro-1,5-naphthyridine.
What is the SMILES notation for 2,4a,7,8-tetrahydro-1,5-naphthyridine?
The canonical SMILES for 2,4a,7,8-tetrahydro-1,5-naphthyridine is C1=CC2N=CCCC2=NC1.
What is the InChIKey of 2,4a,7,8-tetrahydro-1,5-naphthyridine?
The InChIKey is XIDGRVGFAOZRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,3,6-7H,2,4-5H2.
What are the key properties of 2,4a,7,8-tetrahydro-1,5-naphthyridine?
2,4a,7,8-tetrahydro-1,5-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 2,4a,7,8-tetrahydro-1,5-naphthyridine is sourced from PubChem (CID 91263735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).