3-methyl-4H-imidazol-4-ide-5-carbonitrile;yttrium

C5H4N3Y- — CID 140756234

IUPAC3-methyl-4H-imidazol-4-ide-5-carbonitrile;yttrium
SMILESCn1[c-]c(C#N)nc1.[Y]
InChIInChI=1S/C5H4N3.Y/c1-8-3-5(2-6)7-4-8;/h4H,1H3;/q-1;
InChIKeyRMQFDWNOPWRTNR-UHFFFAOYSA-N
MW195.01 g/mol
LogP0.09
Rot. Bonds

About 3-methyl-4H-imidazol-4-ide-5-carbonitrile;yttrium

3-methyl-4H-imidazol-4-ide-5-carbonitrile;yttrium (PubChem CID 140756234) has the molecular formula C5H4N3Y- and a molecular weight of 195.01 g/mol. Its IUPAC name is 3-methyl-4H-imidazol-4-ide-5-carbonitrile;yttrium.

Molecular Properties

Compound Name3-methyl-4H-imidazol-4-ide-5-carbonitrile;yttrium
PubChem CID140756234
Molecular FormulaC5H4N3Y-
Molecular Weight195.01 g/mol
Exact Mass194.95
IUPAC Name3-methyl-4H-imidazol-4-ide-5-carbonitrile;yttrium
SMILESCn1[c-]c(C#N)nc1.[Y]
InChIInChI=1S/C5H4N3.Y/c1-8-3-5(2-6)7-4-8;/h4H,1H3;/q-1;
InChIKeyRMQFDWNOPWRTNR-UHFFFAOYSA-N
XLogP0.09
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.01
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,5-dimethyl-4H-imidazol-4-ide;yttrium
CID 59915028
3,5-dimethyl-4H-imidazol-4-ide;yttrium
CID 144800684
potassium 1-methyl-4H-imidazol-4-ide-5-carbonitrile
CID 169155711
1-methyl-4H-imidazol-4-ide-5-carbonitrile;yttrium
CID 169155843
1,5-dimethyl-4H-imidazol-4-ide;yttrium(3+)
CID 23392037

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4H-imidazol-4-ide-5-carbonitrile;yttrium?
The IUPAC name of 3-methyl-4H-imidazol-4-ide-5-carbonitrile;yttrium (CID 140756234) is 3-methyl-4H-imidazol-4-ide-5-carbonitrile;yttrium.
What is the SMILES notation for 3-methyl-4H-imidazol-4-ide-5-carbonitrile;yttrium?
The canonical SMILES for 3-methyl-4H-imidazol-4-ide-5-carbonitrile;yttrium is Cn1[c-]c(C#N)nc1.[Y].
What is the InChIKey of 3-methyl-4H-imidazol-4-ide-5-carbonitrile;yttrium?
The InChIKey is RMQFDWNOPWRTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N3.Y/c1-8-3-5(2-6)7-4-8;/h4H,1H3;/q-1;.
What are the key properties of 3-methyl-4H-imidazol-4-ide-5-carbonitrile;yttrium?
3-methyl-4H-imidazol-4-ide-5-carbonitrile;yttrium has a molecular weight of 195.01 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4H-imidazol-4-ide-5-carbonitrile;yttrium is sourced from PubChem (CID 140756234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).