3-diazonio-1,8-naphthyridin-4-olate

C8H4N4O — CID 71317860

IUPAC3-diazonio-1,8-naphthyridin-4-olate
SMILESN#[N+]c1cnc2ncccc2c1[O-]
InChIInChI=1S/C8H4N4O/c9-12-6-4-11-8-5(7(6)13)2-1-3-10-8/h1-4H
InChIKeyNMTAUSYEKIVKEP-UHFFFAOYSA-N
MW172.15 g/mol
LogP1.19
Rot. Bonds

About 3-diazonio-1,8-naphthyridin-4-olate

3-diazonio-1,8-naphthyridin-4-olate (PubChem CID 71317860) has the molecular formula C8H4N4O and a molecular weight of 172.15 g/mol. Its IUPAC name is 3-diazonio-1,8-naphthyridin-4-olate.

Molecular Properties

Compound Name3-diazonio-1,8-naphthyridin-4-olate
PubChem CID71317860
Molecular FormulaC8H4N4O
Molecular Weight172.15 g/mol
Exact Mass172.04
IUPAC Name3-diazonio-1,8-naphthyridin-4-olate
SMILESN#[N+]c1cnc2ncccc2c1[O-]
InChIInChI=1S/C8H4N4O/c9-12-6-4-11-8-5(7(6)13)2-1-3-10-8/h1-4H
InChIKeyNMTAUSYEKIVKEP-UHFFFAOYSA-N
XLogP1.19
TPSA76.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diazonio-1,8-naphthyridin-4-olate?
The IUPAC name of 3-diazonio-1,8-naphthyridin-4-olate (CID 71317860) is 3-diazonio-1,8-naphthyridin-4-olate.
What is the SMILES notation for 3-diazonio-1,8-naphthyridin-4-olate?
The canonical SMILES for 3-diazonio-1,8-naphthyridin-4-olate is N#[N+]c1cnc2ncccc2c1[O-].
What is the InChIKey of 3-diazonio-1,8-naphthyridin-4-olate?
The InChIKey is NMTAUSYEKIVKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O/c9-12-6-4-11-8-5(7(6)13)2-1-3-10-8/h1-4H.
What are the key properties of 3-diazonio-1,8-naphthyridin-4-olate?
3-diazonio-1,8-naphthyridin-4-olate has a molecular weight of 172.15 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazonio-1,8-naphthyridin-4-olate is sourced from PubChem (CID 71317860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).