1,2,3,4,5,8-hexahydro-2,7-naphthyridine

C8H12N2 — CID 123531932

IUPAC1,2,3,4,5,8-hexahydro-2,7-naphthyridine
SMILESC1=NCC2=C(C1)CCNC2
InChIInChI=1S/C8H12N2/c1-3-9-5-8-6-10-4-2-7(1)8/h3,10H,1-2,4-6H2
InChIKeyLXOBDTFNJQDSFF-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.75
Rot. Bonds

About 1,2,3,4,5,8-hexahydro-2,7-naphthyridine

1,2,3,4,5,8-hexahydro-2,7-naphthyridine (PubChem CID 123531932) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1,2,3,4,5,8-hexahydro-2,7-naphthyridine.

Molecular Properties

Compound Name1,2,3,4,5,8-hexahydro-2,7-naphthyridine
PubChem CID123531932
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1,2,3,4,5,8-hexahydro-2,7-naphthyridine
SMILESC1=NCC2=C(C1)CCNC2
InChIInChI=1S/C8H12N2/c1-3-9-5-8-6-10-4-2-7(1)8/h3,10H,1-2,4-6H2
InChIKeyLXOBDTFNJQDSFF-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
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

1,2,3,5,6,8a-Hexahydro-1,7-naphthyridine
CID 68745150
3,4,5,6,7,8-Hexahydro-1,7-naphthyridine
CID 68747047
3,4,5,6,7,8-Hexahydro-1,6-naphthyridine
CID 68747089
3,5,6,7,8,8a-Hexahydro-1,6-naphthyridine
CID 90721065
1,2,3,5,8,8a-Hexahydro-1,6-naphthyridine
CID 90884865
1,2,3,5,8,8a-Hexahydro-1,7-naphthyridine
CID 91132064
1,2,3,7,8,8a-Hexahydro-1,6-naphthyridine
CID 91370128
1,2,3,4,7,8-Hexahydro-2,6-naphthyridine
CID 135180853
ethane;1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine
CID 142384557
1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine
CID 142384558
3,4,5,6,7,8-Hexahydro-1,6-naphthyridin-1-ium
CID 173071567
1,2,3,4,5,8-Hexahydro-1,7-naphthyridine
CID 173071577

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,8-hexahydro-2,7-naphthyridine?
The IUPAC name of 1,2,3,4,5,8-hexahydro-2,7-naphthyridine (CID 123531932) is 1,2,3,4,5,8-hexahydro-2,7-naphthyridine.
What is the SMILES notation for 1,2,3,4,5,8-hexahydro-2,7-naphthyridine?
The canonical SMILES for 1,2,3,4,5,8-hexahydro-2,7-naphthyridine is C1=NCC2=C(C1)CCNC2.
What is the InChIKey of 1,2,3,4,5,8-hexahydro-2,7-naphthyridine?
The InChIKey is LXOBDTFNJQDSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-9-5-8-6-10-4-2-7(1)8/h3,10H,1-2,4-6H2.
What are the key properties of 1,2,3,4,5,8-hexahydro-2,7-naphthyridine?
1,2,3,4,5,8-hexahydro-2,7-naphthyridine has a molecular weight of 136.20 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,8-hexahydro-2,7-naphthyridine is sourced from PubChem (CID 123531932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).