(1-methyl-4,5-dihydroimidazol-2-yl)cyanamide

C5H8N4 — CID 15057446

IUPAC(1-methyl-4,5-dihydroimidazol-2-yl)cyanamide
SMILESCN1CCN=C1NC#N
InChIInChI=1S/C5H8N4/c1-9-3-2-7-5(9)8-4-6/h2-3H2,1H3,(H,7,8)
InChIKeyAAFKIWSCSBECGN-UHFFFAOYSA-N
MW124.15 g/mol
LogP-0.64
Rot. Bonds

About (1-methyl-4,5-dihydroimidazol-2-yl)cyanamide

(1-methyl-4,5-dihydroimidazol-2-yl)cyanamide (PubChem CID 15057446) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is (1-methyl-4,5-dihydroimidazol-2-yl)cyanamide.

Molecular Properties

Compound Name(1-methyl-4,5-dihydroimidazol-2-yl)cyanamide
PubChem CID15057446
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name(1-methyl-4,5-dihydroimidazol-2-yl)cyanamide
SMILESCN1CCN=C1NC#N
InChIInChI=1S/C5H8N4/c1-9-3-2-7-5(9)8-4-6/h2-3H2,1H3,(H,7,8)
InChIKeyAAFKIWSCSBECGN-UHFFFAOYSA-N
XLogP-0.64
TPSA51.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (1-methyl-4,5-dihydroimidazol-2-yl)cyanamide?
The IUPAC name of (1-methyl-4,5-dihydroimidazol-2-yl)cyanamide (CID 15057446) is (1-methyl-4,5-dihydroimidazol-2-yl)cyanamide.
What is the SMILES notation for (1-methyl-4,5-dihydroimidazol-2-yl)cyanamide?
The canonical SMILES for (1-methyl-4,5-dihydroimidazol-2-yl)cyanamide is CN1CCN=C1NC#N.
What is the InChIKey of (1-methyl-4,5-dihydroimidazol-2-yl)cyanamide?
The InChIKey is AAFKIWSCSBECGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-9-3-2-7-5(9)8-4-6/h2-3H2,1H3,(H,7,8).
What are the key properties of (1-methyl-4,5-dihydroimidazol-2-yl)cyanamide?
(1-methyl-4,5-dihydroimidazol-2-yl)cyanamide has a molecular weight of 124.15 g/mol, XLogP of -0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4,5-dihydroimidazol-2-yl)cyanamide is sourced from PubChem (CID 15057446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).