1,2,3,4,7,8-hexahydro-1,5-naphthyridin-5-ium

C8H13N2+ — CID 173071655

IUPAC1,2,3,4,7,8-hexahydro-1,5-naphthyridin-5-ium
SMILESC1=[NH+]C2=C(CC1)NCCC2
InChIInChI=1S/C8H12N2/c1-3-7-8(9-5-1)4-2-6-10-7/h5,10H,1-4,6H2/p+1
InChIKeyVQDDCHGYGKZHPH-UHFFFAOYSA-O
MW137.21 g/mol
LogP-0.47
Rot. Bonds

About 1,2,3,4,7,8-hexahydro-1,5-naphthyridin-5-ium

1,2,3,4,7,8-hexahydro-1,5-naphthyridin-5-ium (PubChem CID 173071655) has the molecular formula C8H13N2+ and a molecular weight of 137.21 g/mol. Its IUPAC name is 1,2,3,4,7,8-hexahydro-1,5-naphthyridin-5-ium.

Molecular Properties

Compound Name1,2,3,4,7,8-hexahydro-1,5-naphthyridin-5-ium
PubChem CID173071655
Molecular FormulaC8H13N2+
Molecular Weight137.21 g/mol
Exact Mass137.11
IUPAC Name1,2,3,4,7,8-hexahydro-1,5-naphthyridin-5-ium
SMILESC1=[NH+]C2=C(CC1)NCCC2
InChIInChI=1S/C8H12N2/c1-3-7-8(9-5-1)4-2-6-10-7/h5,10H,1-4,6H2/p+1
InChIKeyVQDDCHGYGKZHPH-UHFFFAOYSA-O
XLogP-0.47
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 ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,7,8-hexahydro-1,5-naphthyridin-5-ium?
The IUPAC name of 1,2,3,4,7,8-hexahydro-1,5-naphthyridin-5-ium (CID 173071655) is 1,2,3,4,7,8-hexahydro-1,5-naphthyridin-5-ium.
What is the SMILES notation for 1,2,3,4,7,8-hexahydro-1,5-naphthyridin-5-ium?
The canonical SMILES for 1,2,3,4,7,8-hexahydro-1,5-naphthyridin-5-ium is C1=[NH+]C2=C(CC1)NCCC2.
What is the InChIKey of 1,2,3,4,7,8-hexahydro-1,5-naphthyridin-5-ium?
The InChIKey is VQDDCHGYGKZHPH-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H12N2/c1-3-7-8(9-5-1)4-2-6-10-7/h5,10H,1-4,6H2/p+1.
What are the key properties of 1,2,3,4,7,8-hexahydro-1,5-naphthyridin-5-ium?
1,2,3,4,7,8-hexahydro-1,5-naphthyridin-5-ium has a molecular weight of 137.21 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,7,8-hexahydro-1,5-naphthyridin-5-ium is sourced from PubChem (CID 173071655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).