hydron;4H-imidazole

C3H5N2+ — CID 174465802

IUPAChydron;4H-imidazole
SMILESC1=NC=NC1.[H+]
InChIInChI=1S/C3H4N2/c1-2-5-3-4-1/h1,3H,2H2/p+1
InChIKeyLGRQUXHYJBFGTM-UHFFFAOYSA-O
MW69.09 g/mol
LogP0.21
Rot. Bonds

About hydron;4H-imidazole

hydron;4H-imidazole (PubChem CID 174465802) has the molecular formula C3H5N2+ and a molecular weight of 69.09 g/mol. Its IUPAC name is hydron;4H-imidazole.

Molecular Properties

Compound Namehydron;4H-imidazole
PubChem CID174465802
Molecular FormulaC3H5N2+
Molecular Weight69.09 g/mol
Exact Mass69.04
IUPAC Namehydron;4H-imidazole
SMILESC1=NC=NC1.[H+]
InChIInChI=1S/C3H4N2/c1-2-5-3-4-1/h1,3H,2H2/p+1
InChIKeyLGRQUXHYJBFGTM-UHFFFAOYSA-O
XLogP0.21
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.09
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of hydron;4H-imidazole?
The IUPAC name of hydron;4H-imidazole (CID 174465802) is hydron;4H-imidazole.
What is the SMILES notation for hydron;4H-imidazole?
The canonical SMILES for hydron;4H-imidazole is C1=NC=NC1.[H+].
What is the InChIKey of hydron;4H-imidazole?
The InChIKey is LGRQUXHYJBFGTM-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H4N2/c1-2-5-3-4-1/h1,3H,2H2/p+1.
What are the key properties of hydron;4H-imidazole?
hydron;4H-imidazole has a molecular weight of 69.09 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;4H-imidazole is sourced from PubChem (CID 174465802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).