5,6,7,8-tetrahydro-2H-1,8-naphthyridine-1-carbonitrile

C9H11N3 — CID 86584175

IUPAC5,6,7,8-tetrahydro-2H-1,8-naphthyridine-1-carbonitrile
SMILESN#CN1CC=CC2=C1NCCC2
InChIInChI=1S/C9H11N3/c10-7-12-6-2-4-8-3-1-5-11-9(8)12/h2,4,11H,1,3,5-6H2
InChIKeyXNHIAFXHMZEBSJ-UHFFFAOYSA-N
MW161.21 g/mol
LogP0.93
Rot. Bonds

About 5,6,7,8-tetrahydro-2H-1,8-naphthyridine-1-carbonitrile

5,6,7,8-tetrahydro-2H-1,8-naphthyridine-1-carbonitrile (PubChem CID 86584175) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-2H-1,8-naphthyridine-1-carbonitrile.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-2H-1,8-naphthyridine-1-carbonitrile
PubChem CID86584175
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name5,6,7,8-tetrahydro-2H-1,8-naphthyridine-1-carbonitrile
SMILESN#CN1CC=CC2=C1NCCC2
InChIInChI=1S/C9H11N3/c10-7-12-6-2-4-8-3-1-5-11-9(8)12/h2,4,11H,1,3,5-6H2
InChIKeyXNHIAFXHMZEBSJ-UHFFFAOYSA-N
XLogP0.93
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-2H-1,8-naphthyridine-1-carbonitrile?
The IUPAC name of 5,6,7,8-tetrahydro-2H-1,8-naphthyridine-1-carbonitrile (CID 86584175) is 5,6,7,8-tetrahydro-2H-1,8-naphthyridine-1-carbonitrile.
What is the SMILES notation for 5,6,7,8-tetrahydro-2H-1,8-naphthyridine-1-carbonitrile?
The canonical SMILES for 5,6,7,8-tetrahydro-2H-1,8-naphthyridine-1-carbonitrile is N#CN1CC=CC2=C1NCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-2H-1,8-naphthyridine-1-carbonitrile?
The InChIKey is XNHIAFXHMZEBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c10-7-12-6-2-4-8-3-1-5-11-9(8)12/h2,4,11H,1,3,5-6H2.
What are the key properties of 5,6,7,8-tetrahydro-2H-1,8-naphthyridine-1-carbonitrile?
5,6,7,8-tetrahydro-2H-1,8-naphthyridine-1-carbonitrile has a molecular weight of 161.21 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-2H-1,8-naphthyridine-1-carbonitrile is sourced from PubChem (CID 86584175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).