2,5-dihydro-1H-1,7-naphthyridin-6-imine

C8H9N3 — CID 67913999

IUPAC2,5-dihydro-1H-1,7-naphthyridin-6-imine
SMILES[H]/N=C1/CC2=C(C=N1)NCC=C2
InChIInChI=1S/C8H9N3/c9-8-4-6-2-1-3-10-7(6)5-11-8/h1-2,5,9-10H,3-4H2/b9-8-
InChIKeyOQFKRIOAJZWORP-HJWRWDBZSA-N
MW147.18 g/mol
LogP0.85
Rot. Bonds

About 2,5-dihydro-1H-1,7-naphthyridin-6-imine

2,5-dihydro-1H-1,7-naphthyridin-6-imine (PubChem CID 67913999) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2,5-dihydro-1H-1,7-naphthyridin-6-imine.

Molecular Properties

Compound Name2,5-dihydro-1H-1,7-naphthyridin-6-imine
PubChem CID67913999
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2,5-dihydro-1H-1,7-naphthyridin-6-imine
SMILES[H]/N=C1/CC2=C(C=N1)NCC=C2
InChIInChI=1S/C8H9N3/c9-8-4-6-2-1-3-10-7(6)5-11-8/h1-2,5,9-10H,3-4H2/b9-8-
InChIKeyOQFKRIOAJZWORP-HJWRWDBZSA-N
XLogP0.85
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-1,7-naphthyridin-6-imine?
The IUPAC name of 2,5-dihydro-1H-1,7-naphthyridin-6-imine (CID 67913999) is 2,5-dihydro-1H-1,7-naphthyridin-6-imine.
What is the SMILES notation for 2,5-dihydro-1H-1,7-naphthyridin-6-imine?
The canonical SMILES for 2,5-dihydro-1H-1,7-naphthyridin-6-imine is [H]/N=C1/CC2=C(C=N1)NCC=C2.
What is the InChIKey of 2,5-dihydro-1H-1,7-naphthyridin-6-imine?
The InChIKey is OQFKRIOAJZWORP-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H9N3/c9-8-4-6-2-1-3-10-7(6)5-11-8/h1-2,5,9-10H,3-4H2/b9-8-.
What are the key properties of 2,5-dihydro-1H-1,7-naphthyridin-6-imine?
2,5-dihydro-1H-1,7-naphthyridin-6-imine has a molecular weight of 147.18 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-1,7-naphthyridin-6-imine is sourced from PubChem (CID 67913999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).