cyanamide;1-ethyl-3-methyl-2H-imidazole

C8H16N6 — CID 118007414

IUPACcyanamide;1-ethyl-3-methyl-2H-imidazole
SMILESCCN1C=CN(C)C1.N#CN.N#CN
InChIInChI=1S/C6H12N2.2CH2N2/c1-3-8-5-4-7(2)6-8;2*2-1-3/h4-5H,3,6H2,1-2H3;2*2H2
InChIKeyVMYKXJNQJYGPRN-UHFFFAOYSA-N
MW196.26 g/mol
LogP-0.47
Rot. Bonds1

About cyanamide;1-ethyl-3-methyl-2H-imidazole

cyanamide;1-ethyl-3-methyl-2H-imidazole (PubChem CID 118007414) has the molecular formula C8H16N6 and a molecular weight of 196.26 g/mol. Its IUPAC name is cyanamide;1-ethyl-3-methyl-2H-imidazole.

Molecular Properties

Compound Namecyanamide;1-ethyl-3-methyl-2H-imidazole
PubChem CID118007414
Molecular FormulaC8H16N6
Molecular Weight196.26 g/mol
Exact Mass196.14
IUPAC Namecyanamide;1-ethyl-3-methyl-2H-imidazole
SMILESCCN1C=CN(C)C1.N#CN.N#CN
InChIInChI=1S/C6H12N2.2CH2N2/c1-3-8-5-4-7(2)6-8;2*2-1-3/h4-5H,3,6H2,1-2H3;2*2H2
InChIKeyVMYKXJNQJYGPRN-UHFFFAOYSA-N
XLogP-0.47
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyanamide;1-ethyl-3-methyl-2H-imidazole?
The IUPAC name of cyanamide;1-ethyl-3-methyl-2H-imidazole (CID 118007414) is cyanamide;1-ethyl-3-methyl-2H-imidazole.
What is the SMILES notation for cyanamide;1-ethyl-3-methyl-2H-imidazole?
The canonical SMILES for cyanamide;1-ethyl-3-methyl-2H-imidazole is CCN1C=CN(C)C1.N#CN.N#CN.
What is the InChIKey of cyanamide;1-ethyl-3-methyl-2H-imidazole?
The InChIKey is VMYKXJNQJYGPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.2CH2N2/c1-3-8-5-4-7(2)6-8;2*2-1-3/h4-5H,3,6H2,1-2H3;2*2H2.
What are the key properties of cyanamide;1-ethyl-3-methyl-2H-imidazole?
cyanamide;1-ethyl-3-methyl-2H-imidazole has a molecular weight of 196.26 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyanamide;1-ethyl-3-methyl-2H-imidazole is sourced from PubChem (CID 118007414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).