1-methyl-3-(methylcarbamoylimino)urea

C4H8N4O2 — CID 54078359

IUPAC1-methyl-3-(methylcarbamoylimino)urea
SMILESCNC(=O)N=NC(=O)NC
InChIInChI=1S/C4H8N4O2/c1-5-3(9)7-8-4(10)6-2/h1-2H3,(H,5,9)(H,6,10)
InChIKeyMLHZYWADINFYGA-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.12
Rot. Bonds

About 1-methyl-3-(methylcarbamoylimino)urea

1-methyl-3-(methylcarbamoylimino)urea (PubChem CID 54078359) has the molecular formula C4H8N4O2 and a molecular weight of 144.13 g/mol. Its IUPAC name is 1-methyl-3-(methylcarbamoylimino)urea.

Molecular Properties

Compound Name1-methyl-3-(methylcarbamoylimino)urea
PubChem CID54078359
Molecular FormulaC4H8N4O2
Molecular Weight144.13 g/mol
Exact Mass144.06
IUPAC Name1-methyl-3-(methylcarbamoylimino)urea
SMILESCNC(=O)N=NC(=O)NC
InChIInChI=1S/C4H8N4O2/c1-5-3(9)7-8-4(10)6-2/h1-2H3,(H,5,9)(H,6,10)
InChIKeyMLHZYWADINFYGA-UHFFFAOYSA-N
XLogP0.12
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(methylcarbamoylimino)urea?
The IUPAC name of 1-methyl-3-(methylcarbamoylimino)urea (CID 54078359) is 1-methyl-3-(methylcarbamoylimino)urea.
What is the SMILES notation for 1-methyl-3-(methylcarbamoylimino)urea?
The canonical SMILES for 1-methyl-3-(methylcarbamoylimino)urea is CNC(=O)N=NC(=O)NC.
What is the InChIKey of 1-methyl-3-(methylcarbamoylimino)urea?
The InChIKey is MLHZYWADINFYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O2/c1-5-3(9)7-8-4(10)6-2/h1-2H3,(H,5,9)(H,6,10).
What are the key properties of 1-methyl-3-(methylcarbamoylimino)urea?
1-methyl-3-(methylcarbamoylimino)urea has a molecular weight of 144.13 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(methylcarbamoylimino)urea is sourced from PubChem (CID 54078359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).