CID 67045908

C5H6N4 — CID 67045908

IUPAC—
SMILES[N-]=[N+]=N.c1ccncc1
InChIInChI=1S/C5H5N.HN3/c1-2-4-6-5-3-1;1-3-2/h1-5H;1H
InChIKeyFGKQDFOKOBTGKL-UHFFFAOYSA-N
MW122.13 g/mol
LogP1.96
Rot. Bonds

About CID 67045908

CID 67045908 (PubChem CID 67045908) has the molecular formula C5H6N4 and a molecular weight of 122.13 g/mol.

Molecular Properties

Compound NameCID 67045908
PubChem CID67045908
Molecular FormulaC5H6N4
Molecular Weight122.13 g/mol
Exact Mass122.06
IUPAC Name—
SMILES[N-]=[N+]=N.c1ccncc1
InChIInChI=1S/C5H5N.HN3/c1-2-4-6-5-3-1;1-3-2/h1-5H;1H
InChIKeyFGKQDFOKOBTGKL-UHFFFAOYSA-N
XLogP1.96
TPSA73.14 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

CID 68763442
CID 68763442
1,5-diazecine
CID 53440348
pyridine
CID 67755510
pyridine
CID 160878650
pyridine;titanium
CID 87570870
cobalt(2+);bis(pyridine)
CID 71357223
pyrazine;bis(pyridine)
CID 159366306
cadmium(2+);pyridine;chloride
CID 21144711
iridium(3+);tris(pyridine)
CID 22020171
bis(pyridine);hydrochloride
CID 68793121
pyridine bromide
CID 19422742
chromium;bis(pyridine)
CID 14201778

Frequently Asked Questions

What is the IUPAC name of CID 67045908?
The IUPAC name of CID 67045908 (CID 67045908) is not available.
What is the SMILES notation for CID 67045908?
The canonical SMILES for CID 67045908 is [N-]=[N+]=N.c1ccncc1.
What is the InChIKey of CID 67045908?
The InChIKey is FGKQDFOKOBTGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.HN3/c1-2-4-6-5-3-1;1-3-2/h1-5H;1H.
What are the key properties of CID 67045908?
CID 67045908 has a molecular weight of 122.13 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67045908 is sourced from PubChem (CID 67045908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).