1,2,3,4,7,8-hexahydro-2,6-naphthyridine

C8H12N2 — CID 135180853

IUPAC1,2,3,4,7,8-hexahydro-2,6-naphthyridine
SMILESC1=NCCC2=C1CCNC2
InChIInChI=1S/C8H12N2/c1-3-9-6-8-2-4-10-5-7(1)8/h5,9H,1-4,6H2
InChIKeyZLMPSVCLRKSAOC-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.75
Rot. Bonds

About 1,2,3,4,7,8-hexahydro-2,6-naphthyridine

1,2,3,4,7,8-hexahydro-2,6-naphthyridine (PubChem CID 135180853) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1,2,3,4,7,8-hexahydro-2,6-naphthyridine.

Molecular Properties

Compound Name1,2,3,4,7,8-hexahydro-2,6-naphthyridine
PubChem CID135180853
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1,2,3,4,7,8-hexahydro-2,6-naphthyridine
SMILESC1=NCCC2=C1CCNC2
InChIInChI=1S/C8H12N2/c1-3-9-6-8-2-4-10-5-7(1)8/h5,9H,1-4,6H2
InChIKeyZLMPSVCLRKSAOC-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,7,8-hexahydro-2,6-naphthyridine?
The IUPAC name of 1,2,3,4,7,8-hexahydro-2,6-naphthyridine (CID 135180853) is 1,2,3,4,7,8-hexahydro-2,6-naphthyridine.
What is the SMILES notation for 1,2,3,4,7,8-hexahydro-2,6-naphthyridine?
The canonical SMILES for 1,2,3,4,7,8-hexahydro-2,6-naphthyridine is C1=NCCC2=C1CCNC2.
What is the InChIKey of 1,2,3,4,7,8-hexahydro-2,6-naphthyridine?
The InChIKey is ZLMPSVCLRKSAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-9-6-8-2-4-10-5-7(1)8/h5,9H,1-4,6H2.
What are the key properties of 1,2,3,4,7,8-hexahydro-2,6-naphthyridine?
1,2,3,4,7,8-hexahydro-2,6-naphthyridine has a molecular weight of 136.20 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,7,8-hexahydro-2,6-naphthyridine is sourced from PubChem (CID 135180853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).