3,4,6,7,8,8a-hexahydro-1,6-naphthyridine

C8H12N2 — CID 173107434

IUPAC3,4,6,7,8,8a-hexahydro-1,6-naphthyridine
SMILESC1=NC2CCNC=C2CC1
InChIInChI=1S/C8H12N2/c1-2-7-6-9-5-3-8(7)10-4-1/h4,6,8-9H,1-3,5H2
InChIKeyOHZVAELHSQAYDA-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.10
Rot. Bonds

About 3,4,6,7,8,8a-hexahydro-1,6-naphthyridine

3,4,6,7,8,8a-hexahydro-1,6-naphthyridine (PubChem CID 173107434) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1,6-naphthyridine.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1,6-naphthyridine
PubChem CID173107434
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3,4,6,7,8,8a-hexahydro-1,6-naphthyridine
SMILESC1=NC2CCNC=C2CC1
InChIInChI=1S/C8H12N2/c1-2-7-6-9-5-3-8(7)10-4-1/h4,6,8-9H,1-3,5H2
InChIKeyOHZVAELHSQAYDA-UHFFFAOYSA-N
XLogP1.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1,6-naphthyridine?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1,6-naphthyridine (CID 173107434) is 3,4,6,7,8,8a-hexahydro-1,6-naphthyridine.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1,6-naphthyridine?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1,6-naphthyridine is C1=NC2CCNC=C2CC1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1,6-naphthyridine?
The InChIKey is OHZVAELHSQAYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-7-6-9-5-3-8(7)10-4-1/h4,6,8-9H,1-3,5H2.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1,6-naphthyridine?
3,4,6,7,8,8a-hexahydro-1,6-naphthyridine has a molecular weight of 136.20 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1,6-naphthyridine is sourced from PubChem (CID 173107434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).