1-(diazonioamino)-4-iminopyridine

C5H6N5+ — CID 90942990

IUPAC1-(diazonioamino)-4-iminopyridine
SMILES[H]N=c1ccn(N[N+]#N)cc1
InChIInChI=1S/C5H6N5/c6-5-1-3-10(4-2-5)9-8-7/h1-4,6,9H/q+1
InChIKeyIPWLDFASFQGMAT-UHFFFAOYSA-N
MW136.14 g/mol
LogP0.28
Rot. Bonds1

About 1-(diazonioamino)-4-iminopyridine

1-(diazonioamino)-4-iminopyridine (PubChem CID 90942990) has the molecular formula C5H6N5+ and a molecular weight of 136.14 g/mol. Its IUPAC name is 1-(diazonioamino)-4-iminopyridine.

Molecular Properties

Compound Name1-(diazonioamino)-4-iminopyridine
PubChem CID90942990
Molecular FormulaC5H6N5+
Molecular Weight136.14 g/mol
Exact Mass136.06
IUPAC Name1-(diazonioamino)-4-iminopyridine
SMILES[H]N=c1ccn(N[N+]#N)cc1
InChIInChI=1S/C5H6N5/c6-5-1-3-10(4-2-5)9-8-7/h1-4,6,9H/q+1
InChIKeyIPWLDFASFQGMAT-UHFFFAOYSA-N
XLogP0.28
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(diazonioamino)-4-iminopyridine?
The IUPAC name of 1-(diazonioamino)-4-iminopyridine (CID 90942990) is 1-(diazonioamino)-4-iminopyridine.
What is the SMILES notation for 1-(diazonioamino)-4-iminopyridine?
The canonical SMILES for 1-(diazonioamino)-4-iminopyridine is [H]N=c1ccn(N[N+]#N)cc1.
What is the InChIKey of 1-(diazonioamino)-4-iminopyridine?
The InChIKey is IPWLDFASFQGMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N5/c6-5-1-3-10(4-2-5)9-8-7/h1-4,6,9H/q+1.
What are the key properties of 1-(diazonioamino)-4-iminopyridine?
1-(diazonioamino)-4-iminopyridine has a molecular weight of 136.14 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diazonioamino)-4-iminopyridine is sourced from PubChem (CID 90942990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).