3,4,5,6-tetrahydro-1,7-naphthyridin-7-ium

C8H11N2+ — CID 173071921

IUPAC3,4,5,6-tetrahydro-1,7-naphthyridin-7-ium
SMILESC1=NC2=C(CC1)CC[NH+]=C2
InChIInChI=1S/C8H10N2/c1-2-7-3-5-9-6-8(7)10-4-1/h4,6H,1-3,5H2/p+1
InChIKeyLJCJJIWTRISNJO-UHFFFAOYSA-O
MW135.19 g/mol
LogP-0.34
Rot. Bonds

About 3,4,5,6-tetrahydro-1,7-naphthyridin-7-ium

3,4,5,6-tetrahydro-1,7-naphthyridin-7-ium (PubChem CID 173071921) has the molecular formula C8H11N2+ and a molecular weight of 135.19 g/mol. Its IUPAC name is 3,4,5,6-tetrahydro-1,7-naphthyridin-7-ium.

Molecular Properties

Compound Name3,4,5,6-tetrahydro-1,7-naphthyridin-7-ium
PubChem CID173071921
Molecular FormulaC8H11N2+
Molecular Weight135.19 g/mol
Exact Mass135.09
IUPAC Name3,4,5,6-tetrahydro-1,7-naphthyridin-7-ium
SMILESC1=NC2=C(CC1)CC[NH+]=C2
InChIInChI=1S/C8H10N2/c1-2-7-3-5-9-6-8(7)10-4-1/h4,6H,1-3,5H2/p+1
InChIKeyLJCJJIWTRISNJO-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 3,4,5,6-tetrahydro-1,7-naphthyridin-7-ium?
The IUPAC name of 3,4,5,6-tetrahydro-1,7-naphthyridin-7-ium (CID 173071921) is 3,4,5,6-tetrahydro-1,7-naphthyridin-7-ium.
What is the SMILES notation for 3,4,5,6-tetrahydro-1,7-naphthyridin-7-ium?
The canonical SMILES for 3,4,5,6-tetrahydro-1,7-naphthyridin-7-ium is C1=NC2=C(CC1)CC[NH+]=C2.
What is the InChIKey of 3,4,5,6-tetrahydro-1,7-naphthyridin-7-ium?
The InChIKey is LJCJJIWTRISNJO-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10N2/c1-2-7-3-5-9-6-8(7)10-4-1/h4,6H,1-3,5H2/p+1.
What are the key properties of 3,4,5,6-tetrahydro-1,7-naphthyridin-7-ium?
3,4,5,6-tetrahydro-1,7-naphthyridin-7-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 3,4,5,6-tetrahydro-1,7-naphthyridin-7-ium is sourced from PubChem (CID 173071921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).