4,5-dihydroimidazol-3-ide;nickel

C3H5N2Ni- — CID 176654189

IUPAC4,5-dihydroimidazol-3-ide;nickel
SMILESC1=NCC[N-]1.[Ni]
InChIInChI=1S/C3H5N2.Ni/c1-2-5-3-4-1;/h3H,1-2H2;/q-1;
InChIKeyTWCQIKMTIBTXRR-UHFFFAOYSA-N
MW127.78 g/mol
LogP0.40
Rot. Bonds

About 4,5-dihydroimidazol-3-ide;nickel

4,5-dihydroimidazol-3-ide;nickel (PubChem CID 176654189) has the molecular formula C3H5N2Ni- and a molecular weight of 127.78 g/mol. Its IUPAC name is 4,5-dihydroimidazol-3-ide;nickel.

Molecular Properties

Compound Name4,5-dihydroimidazol-3-ide;nickel
PubChem CID176654189
Molecular FormulaC3H5N2Ni-
Molecular Weight127.78 g/mol
Exact Mass126.98
IUPAC Name4,5-dihydroimidazol-3-ide;nickel
SMILESC1=NCC[N-]1.[Ni]
InChIInChI=1S/C3H5N2.Ni/c1-2-5-3-4-1;/h3H,1-2H2;/q-1;
InChIKeyTWCQIKMTIBTXRR-UHFFFAOYSA-N
XLogP0.40
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.78
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroimidazol-3-ide;nickel?
The IUPAC name of 4,5-dihydroimidazol-3-ide;nickel (CID 176654189) is 4,5-dihydroimidazol-3-ide;nickel.
What is the SMILES notation for 4,5-dihydroimidazol-3-ide;nickel?
The canonical SMILES for 4,5-dihydroimidazol-3-ide;nickel is C1=NCC[N-]1.[Ni].
What is the InChIKey of 4,5-dihydroimidazol-3-ide;nickel?
The InChIKey is TWCQIKMTIBTXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N2.Ni/c1-2-5-3-4-1;/h3H,1-2H2;/q-1;.
What are the key properties of 4,5-dihydroimidazol-3-ide;nickel?
4,5-dihydroimidazol-3-ide;nickel has a molecular weight of 127.78 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroimidazol-3-ide;nickel is sourced from PubChem (CID 176654189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).