2,3,5,6,7,8-hexahydro-1,6-naphthyridine

C8H12N2 — CID 91152467

IUPAC2,3,5,6,7,8-hexahydro-1,6-naphthyridine
SMILESC1=C2CNCCC2=NCC1
InChIInChI=1S/C8H12N2/c1-2-7-6-9-5-3-8(7)10-4-1/h2,9H,1,3-6H2
InChIKeyGYEUPWKGOCXUEO-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.75
Rot. Bonds

About 2,3,5,6,7,8-hexahydro-1,6-naphthyridine

2,3,5,6,7,8-hexahydro-1,6-naphthyridine (PubChem CID 91152467) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2,3,5,6,7,8-hexahydro-1,6-naphthyridine.

Molecular Properties

Compound Name2,3,5,6,7,8-hexahydro-1,6-naphthyridine
PubChem CID91152467
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2,3,5,6,7,8-hexahydro-1,6-naphthyridine
SMILESC1=C2CNCCC2=NCC1
InChIInChI=1S/C8H12N2/c1-2-7-6-9-5-3-8(7)10-4-1/h2,9H,1,3-6H2
InChIKeyGYEUPWKGOCXUEO-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

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Related Compounds

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2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole
CID 15887273
2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole
CID 22018480
4-(5-methyl-2H-pyrrol-3-yl)piperidine
CID 58578256
2,3,5,6,7,8-Hexahydropyrido[4,3-c]pyridazine
CID 66659174
8-methyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole
CID 68519754
1,2,3,5,6,8a-Hexahydro-1,7-naphthyridine
CID 68745150
1,2,3,4,6,8a-Hexahydro-1,5-naphthyridine
CID 68747901
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

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,8-hexahydro-1,6-naphthyridine?
The IUPAC name of 2,3,5,6,7,8-hexahydro-1,6-naphthyridine (CID 91152467) is 2,3,5,6,7,8-hexahydro-1,6-naphthyridine.
What is the SMILES notation for 2,3,5,6,7,8-hexahydro-1,6-naphthyridine?
The canonical SMILES for 2,3,5,6,7,8-hexahydro-1,6-naphthyridine is C1=C2CNCCC2=NCC1.
What is the InChIKey of 2,3,5,6,7,8-hexahydro-1,6-naphthyridine?
The InChIKey is GYEUPWKGOCXUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-7-6-9-5-3-8(7)10-4-1/h2,9H,1,3-6H2.
What are the key properties of 2,3,5,6,7,8-hexahydro-1,6-naphthyridine?
2,3,5,6,7,8-hexahydro-1,6-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 2,3,5,6,7,8-hexahydro-1,6-naphthyridine is sourced from PubChem (CID 91152467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).