diiminoazanium;pyrimidine

C4H6N5+ — CID 174635490

IUPACdiiminoazanium;pyrimidine
SMILESN=[N+]=N.c1cncnc1
InChIInChI=1S/C4H4N2.H2N3/c1-2-5-4-6-3-1;1-3-2/h1-4H;1-2H/q;+1
InChIKeyDWJXXAFWMNMIEL-UHFFFAOYSA-N
MW124.13 g/mol
LogP0.59
Rot. Bonds

About diiminoazanium;pyrimidine

diiminoazanium;pyrimidine (PubChem CID 174635490) has the molecular formula C4H6N5+ and a molecular weight of 124.13 g/mol. Its IUPAC name is diiminoazanium;pyrimidine.

Molecular Properties

Compound Namediiminoazanium;pyrimidine
PubChem CID174635490
Molecular FormulaC4H6N5+
Molecular Weight124.13 g/mol
Exact Mass124.06
IUPAC Namediiminoazanium;pyrimidine
SMILESN=[N+]=N.c1cncnc1
InChIInChI=1S/C4H4N2.H2N3/c1-2-5-4-6-3-1;1-3-2/h1-4H;1-2H/q;+1
InChIKeyDWJXXAFWMNMIEL-UHFFFAOYSA-N
XLogP0.59
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.13
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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
iminonickel;pyrimidine
CID 175480865
pyrimidine;bis(tungsten(2+))
CID 175709201
copper;pyrimidine
CID 140826173
iron;pyrimidine
CID 160776334
nitroxyl;pyrimidine;hydrochloride
CID 174544758
pyrimidine;dihydrate;hydrochloride
CID 142797131
pyrimidine;pentahydrate;trihydrochloride
CID 139950322
manganese;pyrimidine;sulfane
CID 174633913
methanethione;bis(pyrimidine)
CID 174411529
CID 174457230
CID 174457230
hypochlorous acid;pyrimidine
CID 161391603

Frequently Asked Questions

What is the IUPAC name of diiminoazanium;pyrimidine?
The IUPAC name of diiminoazanium;pyrimidine (CID 174635490) is diiminoazanium;pyrimidine.
What is the SMILES notation for diiminoazanium;pyrimidine?
The canonical SMILES for diiminoazanium;pyrimidine is N=[N+]=N.c1cncnc1.
What is the InChIKey of diiminoazanium;pyrimidine?
The InChIKey is DWJXXAFWMNMIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.H2N3/c1-2-5-4-6-3-1;1-3-2/h1-4H;1-2H/q;+1.
What are the key properties of diiminoazanium;pyrimidine?
diiminoazanium;pyrimidine has a molecular weight of 124.13 g/mol, XLogP of 0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diiminoazanium;pyrimidine is sourced from PubChem (CID 174635490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).