1,4,7,8-tetrahydro-1,6-naphthyridin-6-ium

C8H11N2+ — CID 173071694

IUPAC1,4,7,8-tetrahydro-1,6-naphthyridin-6-ium
SMILESC1=CNC2=C(C=[NH+]CC2)C1
InChIInChI=1S/C8H10N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1,4,6,10H,2-3,5H2/p+1
InChIKeySOJBTGDGYJRSMC-UHFFFAOYSA-O
MW135.19 g/mol
LogP-0.70
Rot. Bonds

About 1,4,7,8-tetrahydro-1,6-naphthyridin-6-ium

1,4,7,8-tetrahydro-1,6-naphthyridin-6-ium (PubChem CID 173071694) has the molecular formula C8H11N2+ and a molecular weight of 135.19 g/mol. Its IUPAC name is 1,4,7,8-tetrahydro-1,6-naphthyridin-6-ium.

Molecular Properties

Compound Name1,4,7,8-tetrahydro-1,6-naphthyridin-6-ium
PubChem CID173071694
Molecular FormulaC8H11N2+
Molecular Weight135.19 g/mol
Exact Mass135.09
IUPAC Name1,4,7,8-tetrahydro-1,6-naphthyridin-6-ium
SMILESC1=CNC2=C(C=[NH+]CC2)C1
InChIInChI=1S/C8H10N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1,4,6,10H,2-3,5H2/p+1
InChIKeySOJBTGDGYJRSMC-UHFFFAOYSA-O
XLogP-0.70
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclopenta[a][4,7]phenanthroline
CID 129753063
2,3-Dihydro-2,7-naphthyridine
CID 57034641
2,3-Dihydro-2,6-naphthyridine
CID 57195549
6,7-Dihydro-1,7-naphthyridine
CID 58988416
6,7-Dihydro-1,6-naphthyridine
CID 89172473
3-Methyl-6,7-dihydro-1,7-naphthyridine
CID 89225472
1,2,3,8a-Tetrahydro-1,6-naphthyridine
CID 91608146
3-methylidene-2H-2,6-naphthyridine
CID 117661074
6-methylidene-7H-1,7-naphthyridine
CID 117661080
3-methylidene-2H-2,7-naphthyridine
CID 117661082
7-methylidene-6H-1,6-naphthyridine
CID 117661083
1H-pyrrolo[3,4-g]quinoline
CID 135621801

Frequently Asked Questions

What is the IUPAC name of 1,4,7,8-tetrahydro-1,6-naphthyridin-6-ium?
The IUPAC name of 1,4,7,8-tetrahydro-1,6-naphthyridin-6-ium (CID 173071694) is 1,4,7,8-tetrahydro-1,6-naphthyridin-6-ium.
What is the SMILES notation for 1,4,7,8-tetrahydro-1,6-naphthyridin-6-ium?
The canonical SMILES for 1,4,7,8-tetrahydro-1,6-naphthyridin-6-ium is C1=CNC2=C(C=[NH+]CC2)C1.
What is the InChIKey of 1,4,7,8-tetrahydro-1,6-naphthyridin-6-ium?
The InChIKey is SOJBTGDGYJRSMC-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1,4,6,10H,2-3,5H2/p+1.
What are the key properties of 1,4,7,8-tetrahydro-1,6-naphthyridin-6-ium?
1,4,7,8-tetrahydro-1,6-naphthyridin-6-ium has a molecular weight of 135.19 g/mol, XLogP of -0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,8-tetrahydro-1,6-naphthyridin-6-ium is sourced from PubChem (CID 173071694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).