1,2,5,8-tetrahydro-1,6-naphthyridin-6-ium

C8H11N2+ — CID 173109870

IUPAC1,2,5,8-tetrahydro-1,6-naphthyridin-6-ium
SMILESC1=CC2=C(CC=[NH+]C2)NC1
InChIInChI=1S/C8H10N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-2,5,10H,3-4,6H2/p+1
InChIKeyVXYVXNZSDRYBSA-UHFFFAOYSA-O
MW135.19 g/mol
LogP-1.04
Rot. Bonds

About 1,2,5,8-tetrahydro-1,6-naphthyridin-6-ium

1,2,5,8-tetrahydro-1,6-naphthyridin-6-ium (PubChem CID 173109870) has the molecular formula C8H11N2+ and a molecular weight of 135.19 g/mol. Its IUPAC name is 1,2,5,8-tetrahydro-1,6-naphthyridin-6-ium.

Molecular Properties

Compound Name1,2,5,8-tetrahydro-1,6-naphthyridin-6-ium
PubChem CID173109870
Molecular FormulaC8H11N2+
Molecular Weight135.19 g/mol
Exact Mass135.09
IUPAC Name1,2,5,8-tetrahydro-1,6-naphthyridin-6-ium
SMILESC1=CC2=C(CC=[NH+]C2)NC1
InChIInChI=1S/C8H10N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-2,5,10H,3-4,6H2/p+1
InChIKeyVXYVXNZSDRYBSA-UHFFFAOYSA-O
XLogP-1.04
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 ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Trifluoromethyl)-3,5,6,7-tetrahydro-1,6-naphthyridine
CID 67319476
Dihydropyrrolo[3,2-c]azepine
CID 129861020
1,7-Dihydropyrrolo[3,2-c]azepine
CID 56997363
1,5-Dihydropyrrolo[2,3-c]azepine
CID 57325040
praseodymium;6-(1,2,3,6-tetrahydropyridin-5-yl)-2H-pyridin-2-ide
CID 57980781
6,7-Dihydro-1,7-naphthyridine
CID 58988416
N-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+)
CID 59093785
iron;10H-1,10-phenanthrolin-4a-amine
CID 67802010
2,5-dihydro-1H-1,7-naphthyridin-6-imine
CID 67913999
N-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine
CID 70267946
1,8-Dihydro-1,10-phenanthroline
CID 87724484
3,15-Diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene
CID 87852946

Frequently Asked Questions

What is the IUPAC name of 1,2,5,8-tetrahydro-1,6-naphthyridin-6-ium?
The IUPAC name of 1,2,5,8-tetrahydro-1,6-naphthyridin-6-ium (CID 173109870) is 1,2,5,8-tetrahydro-1,6-naphthyridin-6-ium.
What is the SMILES notation for 1,2,5,8-tetrahydro-1,6-naphthyridin-6-ium?
The canonical SMILES for 1,2,5,8-tetrahydro-1,6-naphthyridin-6-ium is C1=CC2=C(CC=[NH+]C2)NC1.
What is the InChIKey of 1,2,5,8-tetrahydro-1,6-naphthyridin-6-ium?
The InChIKey is VXYVXNZSDRYBSA-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-2,5,10H,3-4,6H2/p+1.
What are the key properties of 1,2,5,8-tetrahydro-1,6-naphthyridin-6-ium?
1,2,5,8-tetrahydro-1,6-naphthyridin-6-ium has a molecular weight of 135.19 g/mol, XLogP of -1.04, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,8-tetrahydro-1,6-naphthyridin-6-ium is sourced from PubChem (CID 173109870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).