iminonickel;pyrimidine

C4H5N3Ni — CID 175480865

IUPACiminonickel;pyrimidine
SMILESN=[Ni].c1cncnc1
InChIInChI=1S/C4H4N2.HN.Ni/c1-2-5-4-6-3-1;;/h1-4H;1H;
InChIKeyXHWNWZWBVFQYBU-UHFFFAOYSA-N
MW153.80 g/mol
LogP0.77
Rot. Bonds

About iminonickel;pyrimidine

iminonickel;pyrimidine (PubChem CID 175480865) has the molecular formula C4H5N3Ni and a molecular weight of 153.80 g/mol. Its IUPAC name is iminonickel;pyrimidine.

Molecular Properties

Compound Nameiminonickel;pyrimidine
PubChem CID175480865
Molecular FormulaC4H5N3Ni
Molecular Weight153.80 g/mol
Exact Mass152.98
IUPAC Nameiminonickel;pyrimidine
SMILESN=[Ni].c1cncnc1
InChIInChI=1S/C4H4N2.HN.Ni/c1-2-5-4-6-3-1;;/h1-4H;1H;
InChIKeyXHWNWZWBVFQYBU-UHFFFAOYSA-N
XLogP0.77
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.80
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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iron;pyrimidine
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copper;pyrimidine
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CID 174544758
diiminoazanium;pyrimidine
CID 174635490
manganese;pyrimidine;sulfane
CID 174633913
pyrimidine;dihydrate;hydrochloride
CID 142797131
pyrimidine;pentahydrate;trihydrochloride
CID 139950322
hypochlorous acid;pyrimidine
CID 161391603
CID 174457230
CID 174457230
methanethione;bis(pyrimidine)
CID 174411529
CID 68763442
CID 68763442

Frequently Asked Questions

What is the IUPAC name of iminonickel;pyrimidine?
The IUPAC name of iminonickel;pyrimidine (CID 175480865) is iminonickel;pyrimidine.
What is the SMILES notation for iminonickel;pyrimidine?
The canonical SMILES for iminonickel;pyrimidine is N=[Ni].c1cncnc1.
What is the InChIKey of iminonickel;pyrimidine?
The InChIKey is XHWNWZWBVFQYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.HN.Ni/c1-2-5-4-6-3-1;;/h1-4H;1H;.
What are the key properties of iminonickel;pyrimidine?
iminonickel;pyrimidine has a molecular weight of 153.80 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iminonickel;pyrimidine is sourced from PubChem (CID 175480865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).