azane;imidazol-2-imine

C3H6N4 — CID 175885968

IUPACazane;imidazol-2-imine
SMILESN.[H]N=C1N=CC=N1
InChIInChI=1S/C3H3N3.H3N/c4-3-5-1-2-6-3;/h1-2,4H;1H3
InChIKeyBEQZCFXHKFENIL-UHFFFAOYSA-N
MW98.11 g/mol
LogP0.24
Rot. Bonds

About azane;imidazol-2-imine

azane;imidazol-2-imine (PubChem CID 175885968) has the molecular formula C3H6N4 and a molecular weight of 98.11 g/mol. Its IUPAC name is azane;imidazol-2-imine.

Molecular Properties

Compound Nameazane;imidazol-2-imine
PubChem CID175885968
Molecular FormulaC3H6N4
Molecular Weight98.11 g/mol
Exact Mass98.06
IUPAC Nameazane;imidazol-2-imine
SMILESN.[H]N=C1N=CC=N1
InChIInChI=1S/C3H3N3.H3N/c4-3-5-1-2-6-3;/h1-2,4H;1H3
InChIKeyBEQZCFXHKFENIL-UHFFFAOYSA-N
XLogP0.24
TPSA83.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.11
LogP ≤ 50.24
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 azane;imidazol-2-imine?
The IUPAC name of azane;imidazol-2-imine (CID 175885968) is azane;imidazol-2-imine.
What is the SMILES notation for azane;imidazol-2-imine?
The canonical SMILES for azane;imidazol-2-imine is N.[H]N=C1N=CC=N1.
What is the InChIKey of azane;imidazol-2-imine?
The InChIKey is BEQZCFXHKFENIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.H3N/c4-3-5-1-2-6-3;/h1-2,4H;1H3.
What are the key properties of azane;imidazol-2-imine?
azane;imidazol-2-imine has a molecular weight of 98.11 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;imidazol-2-imine is sourced from PubChem (CID 175885968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).