1,2,3,4,6,8a-hexahydro-1,6-naphthyridine

C8H12N2 — CID 68747010

IUPAC1,2,3,4,6,8a-hexahydro-1,6-naphthyridine
SMILESC1=CC2NCCCC2=CN1
InChIInChI=1S/C8H12N2/c1-2-7-6-9-5-3-8(7)10-4-1/h3,5-6,8-10H,1-2,4H2
InChIKeyRBPWROUSJWXHJU-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.74
Rot. Bonds

About 1,2,3,4,6,8a-hexahydro-1,6-naphthyridine

1,2,3,4,6,8a-hexahydro-1,6-naphthyridine (PubChem CID 68747010) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1,2,3,4,6,8a-hexahydro-1,6-naphthyridine.

Molecular Properties

Compound Name1,2,3,4,6,8a-hexahydro-1,6-naphthyridine
PubChem CID68747010
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1,2,3,4,6,8a-hexahydro-1,6-naphthyridine
SMILESC1=CC2NCCCC2=CN1
InChIInChI=1S/C8H12N2/c1-2-7-6-9-5-3-8(7)10-4-1/h3,5-6,8-10H,1-2,4H2
InChIKeyRBPWROUSJWXHJU-UHFFFAOYSA-N
XLogP0.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,8a-hexahydro-1,6-naphthyridine?
The IUPAC name of 1,2,3,4,6,8a-hexahydro-1,6-naphthyridine (CID 68747010) is 1,2,3,4,6,8a-hexahydro-1,6-naphthyridine.
What is the SMILES notation for 1,2,3,4,6,8a-hexahydro-1,6-naphthyridine?
The canonical SMILES for 1,2,3,4,6,8a-hexahydro-1,6-naphthyridine is C1=CC2NCCCC2=CN1.
What is the InChIKey of 1,2,3,4,6,8a-hexahydro-1,6-naphthyridine?
The InChIKey is RBPWROUSJWXHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-7-6-9-5-3-8(7)10-4-1/h3,5-6,8-10H,1-2,4H2.
What are the key properties of 1,2,3,4,6,8a-hexahydro-1,6-naphthyridine?
1,2,3,4,6,8a-hexahydro-1,6-naphthyridine has a molecular weight of 136.20 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,8a-hexahydro-1,6-naphthyridine is sourced from PubChem (CID 68747010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).