sodium;azanide;4H-imidazole

C3H6N3Na — CID 23720674

IUPACsodium;azanide;4H-imidazole
SMILESC1=NC=NC1.[NH2-].[Na+]
InChIInChI=1S/C3H4N2.H2N.Na/c1-2-5-3-4-1;;/h1,3H,2H2;1H2;/q;-1;+1
InChIKeyPLNHOYDEHDTUSS-UHFFFAOYSA-N
MW107.09 g/mol
LogP-2.18
Rot. Bonds

About sodium;azanide;4H-imidazole

sodium;azanide;4H-imidazole (PubChem CID 23720674) has the molecular formula C3H6N3Na and a molecular weight of 107.09 g/mol. Its IUPAC name is sodium;azanide;4H-imidazole.

Molecular Properties

Compound Namesodium;azanide;4H-imidazole
PubChem CID23720674
Molecular FormulaC3H6N3Na
Molecular Weight107.09 g/mol
Exact Mass107.05
IUPAC Namesodium;azanide;4H-imidazole
SMILESC1=NC=NC1.[NH2-].[Na+]
InChIInChI=1S/C3H4N2.H2N.Na/c1-2-5-3-4-1;;/h1,3H,2H2;1H2;/q;-1;+1
InChIKeyPLNHOYDEHDTUSS-UHFFFAOYSA-N
XLogP-2.18
TPSA58.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.09
LogP ≤ 5-2.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4H-Imidazole
CID 12744656
5-Amino-2H-imidazol
CID 12744663
4h-Imidazole hydrochloride
CID 129789055
4H-imidazol-2-amine
CID 12744657
4H-imidazol-4-amine
CID 12744665
sodium;4H-imidazole;chloride
CID 20553853
4H-imidazole;osmium
CID 24782133
4H-imidazol-1-ium-1-amine
CID 57043281
N-(4H-imidazol-2-yl)methanimine
CID 57894759
copper;4H-imidazole
CID 66602426
4H-imidazole;zinc
CID 66995227
4H-imidazole;iron
CID 68814689

Frequently Asked Questions

What is the IUPAC name of sodium;azanide;4H-imidazole?
The IUPAC name of sodium;azanide;4H-imidazole (CID 23720674) is sodium;azanide;4H-imidazole.
What is the SMILES notation for sodium;azanide;4H-imidazole?
The canonical SMILES for sodium;azanide;4H-imidazole is C1=NC=NC1.[NH2-].[Na+].
What is the InChIKey of sodium;azanide;4H-imidazole?
The InChIKey is PLNHOYDEHDTUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.H2N.Na/c1-2-5-3-4-1;;/h1,3H,2H2;1H2;/q;-1;+1.
What are the key properties of sodium;azanide;4H-imidazole?
sodium;azanide;4H-imidazole has a molecular weight of 107.09 g/mol, XLogP of -2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azanide;4H-imidazole is sourced from PubChem (CID 23720674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).