2,3,4,8-tetrahydro-1,5-naphthyridin-5-ium

C8H11N2+ — CID 173071913

IUPAC2,3,4,8-tetrahydro-1,5-naphthyridin-5-ium
SMILESC1=C[NH+]=C2CCCN=C2C1
InChIInChI=1S/C8H10N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,5H,2-4,6H2/p+1
InChIKeyABZLILOVGJHEFS-UHFFFAOYSA-O
MW135.19 g/mol
LogP-0.34
Rot. Bonds

About 2,3,4,8-tetrahydro-1,5-naphthyridin-5-ium

2,3,4,8-tetrahydro-1,5-naphthyridin-5-ium (PubChem CID 173071913) has the molecular formula C8H11N2+ and a molecular weight of 135.19 g/mol. Its IUPAC name is 2,3,4,8-tetrahydro-1,5-naphthyridin-5-ium.

Molecular Properties

Compound Name2,3,4,8-tetrahydro-1,5-naphthyridin-5-ium
PubChem CID173071913
Molecular FormulaC8H11N2+
Molecular Weight135.19 g/mol
Exact Mass135.09
IUPAC Name2,3,4,8-tetrahydro-1,5-naphthyridin-5-ium
SMILESC1=C[NH+]=C2CCCN=C2C1
InChIInChI=1S/C8H10N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,5H,2-4,6H2/p+1
InChIKeyABZLILOVGJHEFS-UHFFFAOYSA-O
XLogP-0.34
TPSA26.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,8-tetrahydro-1,5-naphthyridin-5-ium?
The IUPAC name of 2,3,4,8-tetrahydro-1,5-naphthyridin-5-ium (CID 173071913) is 2,3,4,8-tetrahydro-1,5-naphthyridin-5-ium.
What is the SMILES notation for 2,3,4,8-tetrahydro-1,5-naphthyridin-5-ium?
The canonical SMILES for 2,3,4,8-tetrahydro-1,5-naphthyridin-5-ium is C1=C[NH+]=C2CCCN=C2C1.
What is the InChIKey of 2,3,4,8-tetrahydro-1,5-naphthyridin-5-ium?
The InChIKey is ABZLILOVGJHEFS-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,5H,2-4,6H2/p+1.
What are the key properties of 2,3,4,8-tetrahydro-1,5-naphthyridin-5-ium?
2,3,4,8-tetrahydro-1,5-naphthyridin-5-ium has a molecular weight of 135.19 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,8-tetrahydro-1,5-naphthyridin-5-ium is sourced from PubChem (CID 173071913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).