1,2,4a,5,6,8a-hexahydro-1,7-naphthyridine

C8H12N2 — CID 90701591

IUPAC1,2,4a,5,6,8a-hexahydro-1,7-naphthyridine
SMILESC1=CC2CCN=CC2NC1
InChIInChI=1S/C8H12N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1-2,6-8,10H,3-5H2
InChIKeyPFMRDFRVKUURIV-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.61
Rot. Bonds

About 1,2,4a,5,6,8a-hexahydro-1,7-naphthyridine

1,2,4a,5,6,8a-hexahydro-1,7-naphthyridine (PubChem CID 90701591) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1,2,4a,5,6,8a-hexahydro-1,7-naphthyridine.

Molecular Properties

Compound Name1,2,4a,5,6,8a-hexahydro-1,7-naphthyridine
PubChem CID90701591
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1,2,4a,5,6,8a-hexahydro-1,7-naphthyridine
SMILESC1=CC2CCN=CC2NC1
InChIInChI=1S/C8H12N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1-2,6-8,10H,3-5H2
InChIKeyPFMRDFRVKUURIV-UHFFFAOYSA-N
XLogP0.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.61
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

2-Piperidin-4-ylpyrrol-2-amine
CID 57461956
2-(2,3,4,5-Tetrahydropyridin-4-yl)-1,2-dihydropyridin-5-amine
CID 67424456
1,2,3,5,6,8a-Hexahydro-1,7-naphthyridine
CID 68745150
1,2,3,4,6,8a-Hexahydro-1,7-naphthyridine
CID 68748788
1,2,3,4,4a,5-Hexahydro-2,6-naphthyridine
CID 90698342
2,4a,5,6,7,8-Hexahydro-1,6-naphthyridine
CID 90707339
3,5,6,7,8,8a-Hexahydro-1,6-naphthyridine
CID 90721065
1,2,4a,7,8,8a-Hexahydroquinazoline
CID 90880991
1,2,3,5,8,8a-Hexahydro-1,6-naphthyridine
CID 90884865
1,2,4a,5,6,8a-Hexahydroquinazoline
CID 91027361
3,4,6,7,8,8a-Hexahydro-1,7-naphthyridine
CID 91072702
2-(1,2,3,6-Tetrahydropyridin-3-yl)-2,3,4,5-tetrahydropyridine
CID 91078493

Frequently Asked Questions

What is the IUPAC name of 1,2,4a,5,6,8a-hexahydro-1,7-naphthyridine?
The IUPAC name of 1,2,4a,5,6,8a-hexahydro-1,7-naphthyridine (CID 90701591) is 1,2,4a,5,6,8a-hexahydro-1,7-naphthyridine.
What is the SMILES notation for 1,2,4a,5,6,8a-hexahydro-1,7-naphthyridine?
The canonical SMILES for 1,2,4a,5,6,8a-hexahydro-1,7-naphthyridine is C1=CC2CCN=CC2NC1.
What is the InChIKey of 1,2,4a,5,6,8a-hexahydro-1,7-naphthyridine?
The InChIKey is PFMRDFRVKUURIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1-2,6-8,10H,3-5H2.
What are the key properties of 1,2,4a,5,6,8a-hexahydro-1,7-naphthyridine?
1,2,4a,5,6,8a-hexahydro-1,7-naphthyridine has a molecular weight of 136.20 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4a,5,6,8a-hexahydro-1,7-naphthyridine is sourced from PubChem (CID 90701591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).