imidazol-4-imine

C3H3N3 — CID 70153251

IUPACimidazol-4-imine
SMILES[H]/N=C1\C=NC=N1
InChIInChI=1S/C3H3N3/c4-3-1-5-2-6-3/h1-2,4H/b4-3+
InChIKeyRPTCUOGRHYVLHS-ONEGZZNKSA-N
MW81.08 g/mol
LogP0.08
Rot. Bonds

About imidazol-4-imine

imidazol-4-imine (PubChem CID 70153251) has the molecular formula C3H3N3 and a molecular weight of 81.08 g/mol. Its IUPAC name is imidazol-4-imine.

Molecular Properties

Compound Nameimidazol-4-imine
PubChem CID70153251
Molecular FormulaC3H3N3
Molecular Weight81.08 g/mol
Exact Mass81.03
IUPAC Nameimidazol-4-imine
SMILES[H]/N=C1\C=NC=N1
InChIInChI=1S/C3H3N3/c4-3-1-5-2-6-3/h1-2,4H/b4-3+
InChIKeyRPTCUOGRHYVLHS-ONEGZZNKSA-N
XLogP0.08
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.08
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Azacyclopropenylidenimine
CID 191105
5-Amino-2H-imidazol
CID 12744663
Imidazol-2-imine
CID 17829364
Imidazol-2-ylideneazanium
CID 57324822
2-Iminoimidazol-4-amine
CID 68296150
4H-imidazol-2-amine
CID 12744657
4H-imidazol-2-amine;hydroiodide
CID 70573546
[Amino-(imidazol-2-ylideneamino)methylidene]azanium
CID 91130870
4-Iminoimidazole-2-carbonitrile
CID 140998027
Imidazol-4-imine;hydrochloride
CID 173269114
Azane;imidazol-2-imine
CID 175885968
4H-imidazol-2-amine;hydrochloride
CID 55284097

Frequently Asked Questions

What is the IUPAC name of imidazol-4-imine?
The IUPAC name of imidazol-4-imine (CID 70153251) is imidazol-4-imine.
What is the SMILES notation for imidazol-4-imine?
The canonical SMILES for imidazol-4-imine is [H]/N=C1\C=NC=N1.
What is the InChIKey of imidazol-4-imine?
The InChIKey is RPTCUOGRHYVLHS-ONEGZZNKSA-N. The full InChI is InChI=1S/C3H3N3/c4-3-1-5-2-6-3/h1-2,4H/b4-3+.
What are the key properties of imidazol-4-imine?
imidazol-4-imine has a molecular weight of 81.08 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-4-imine is sourced from PubChem (CID 70153251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).