1,2,3,7,8,8a-hexahydro-1,5-naphthyridin-5-ium

C8H13N2+ — CID 173071586

IUPAC1,2,3,7,8,8a-hexahydro-1,5-naphthyridin-5-ium
SMILESC1=[NH+]C2=CCCNC2CC1
InChIInChI=1S/C8H12N2/c1-3-7-8(9-5-1)4-2-6-10-7/h3,6,8-9H,1-2,4-5H2/p+1
InChIKeySZJZXAHGIIAQGH-UHFFFAOYSA-O
MW137.21 g/mol
LogP-0.82
Rot. Bonds

About 1,2,3,7,8,8a-hexahydro-1,5-naphthyridin-5-ium

1,2,3,7,8,8a-hexahydro-1,5-naphthyridin-5-ium (PubChem CID 173071586) has the molecular formula C8H13N2+ and a molecular weight of 137.21 g/mol. Its IUPAC name is 1,2,3,7,8,8a-hexahydro-1,5-naphthyridin-5-ium.

Molecular Properties

Compound Name1,2,3,7,8,8a-hexahydro-1,5-naphthyridin-5-ium
PubChem CID173071586
Molecular FormulaC8H13N2+
Molecular Weight137.21 g/mol
Exact Mass137.11
IUPAC Name1,2,3,7,8,8a-hexahydro-1,5-naphthyridin-5-ium
SMILESC1=[NH+]C2=CCCNC2CC1
InChIInChI=1S/C8H12N2/c1-3-7-8(9-5-1)4-2-6-10-7/h3,6,8-9H,1-2,4-5H2/p+1
InChIKeySZJZXAHGIIAQGH-UHFFFAOYSA-O
XLogP-0.82
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1,2,3,7,8,8a-hexahydro-1,5-naphthyridin-5-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,7,8,8a-hexahydro-1,5-naphthyridin-5-ium?
The IUPAC name of 1,2,3,7,8,8a-hexahydro-1,5-naphthyridin-5-ium (CID 173071586) is 1,2,3,7,8,8a-hexahydro-1,5-naphthyridin-5-ium.
What is the SMILES notation for 1,2,3,7,8,8a-hexahydro-1,5-naphthyridin-5-ium?
The canonical SMILES for 1,2,3,7,8,8a-hexahydro-1,5-naphthyridin-5-ium is C1=[NH+]C2=CCCNC2CC1.
What is the InChIKey of 1,2,3,7,8,8a-hexahydro-1,5-naphthyridin-5-ium?
The InChIKey is SZJZXAHGIIAQGH-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H12N2/c1-3-7-8(9-5-1)4-2-6-10-7/h3,6,8-9H,1-2,4-5H2/p+1.
What are the key properties of 1,2,3,7,8,8a-hexahydro-1,5-naphthyridin-5-ium?
1,2,3,7,8,8a-hexahydro-1,5-naphthyridin-5-ium has a molecular weight of 137.21 g/mol, XLogP of -0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,7,8,8a-hexahydro-1,5-naphthyridin-5-ium is sourced from PubChem (CID 173071586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).