2,3,4,6,7,8-hexahydro-1,7-naphthyridine

C8H12N2 — CID 90932734

IUPAC2,3,4,6,7,8-hexahydro-1,7-naphthyridine
SMILESC1=C2CCCN=C2CNC1
InChIInChI=1S/C8H12N2/c1-2-7-3-5-9-6-8(7)10-4-1/h3,9H,1-2,4-6H2
InChIKeyQUIIWEMYPPYPKJ-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.75
Rot. Bonds

About 2,3,4,6,7,8-hexahydro-1,7-naphthyridine

2,3,4,6,7,8-hexahydro-1,7-naphthyridine (PubChem CID 90932734) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2,3,4,6,7,8-hexahydro-1,7-naphthyridine.

Molecular Properties

Compound Name2,3,4,6,7,8-hexahydro-1,7-naphthyridine
PubChem CID90932734
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2,3,4,6,7,8-hexahydro-1,7-naphthyridine
SMILESC1=C2CCCN=C2CNC1
InChIInChI=1S/C8H12N2/c1-2-7-3-5-9-6-8(7)10-4-1/h3,9H,1-2,4-6H2
InChIKeyQUIIWEMYPPYPKJ-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

1,2,3,7,8,8a-Hexahydroquinoxaline
CID 91202052
3-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)-4H-pyridin-3-amine
CID 68786672
2,3,6,9a-tetrahydro-1H-pyrido[3,4-b]indole
CID 57125637
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
1,2,4a,8,9,10b-Hexahydro-1,10-phenanthroline
CID 89493066
N-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine
CID 89742668
1,2,3,5,8,8a-Hexahydro-1,6-naphthyridine
CID 90884865
2,6,7,8-Tetrahydro-1,7-naphthyridine
CID 90958965
2,3,5,6,7,8-Hexahydro-1,7-naphthyridine
CID 90960597
2,3-Dimethylidene-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 91024706

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8-hexahydro-1,7-naphthyridine?
The IUPAC name of 2,3,4,6,7,8-hexahydro-1,7-naphthyridine (CID 90932734) is 2,3,4,6,7,8-hexahydro-1,7-naphthyridine.
What is the SMILES notation for 2,3,4,6,7,8-hexahydro-1,7-naphthyridine?
The canonical SMILES for 2,3,4,6,7,8-hexahydro-1,7-naphthyridine is C1=C2CCCN=C2CNC1.
What is the InChIKey of 2,3,4,6,7,8-hexahydro-1,7-naphthyridine?
The InChIKey is QUIIWEMYPPYPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-7-3-5-9-6-8(7)10-4-1/h3,9H,1-2,4-6H2.
What are the key properties of 2,3,4,6,7,8-hexahydro-1,7-naphthyridine?
2,3,4,6,7,8-hexahydro-1,7-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 2,3,4,6,7,8-hexahydro-1,7-naphthyridine is sourced from PubChem (CID 90932734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).