1-carbamoylimino-3-methylurea

C3H6N4O2 — CID 5273286

IUPAC1-carbamoylimino-3-methylurea
SMILESCNC(=O)N=NC(N)=O
InChIInChI=1S/C3H6N4O2/c1-5-3(9)7-6-2(4)8/h1H3,(H2,4,8)(H,5,9)
InChIKeyOCBMYUUWIZCEIS-UHFFFAOYSA-N
MW130.11 g/mol
LogP-0.14
Rot. Bonds

About 1-carbamoylimino-3-methylurea

1-carbamoylimino-3-methylurea (PubChem CID 5273286) has the molecular formula C3H6N4O2 and a molecular weight of 130.11 g/mol. Its IUPAC name is 1-carbamoylimino-3-methylurea.

Molecular Properties

Compound Name1-carbamoylimino-3-methylurea
PubChem CID5273286
Molecular FormulaC3H6N4O2
Molecular Weight130.11 g/mol
Exact Mass130.05
IUPAC Name1-carbamoylimino-3-methylurea
SMILESCNC(=O)N=NC(N)=O
InChIInChI=1S/C3H6N4O2/c1-5-3(9)7-6-2(4)8/h1H3,(H2,4,8)(H,5,9)
InChIKeyOCBMYUUWIZCEIS-UHFFFAOYSA-N
XLogP-0.14
TPSA96.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.11
LogP ≤ 5-0.14
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-carbamoylimino-3-methylurea?
The IUPAC name of 1-carbamoylimino-3-methylurea (CID 5273286) is 1-carbamoylimino-3-methylurea.
What is the SMILES notation for 1-carbamoylimino-3-methylurea?
The canonical SMILES for 1-carbamoylimino-3-methylurea is CNC(=O)N=NC(N)=O.
What is the InChIKey of 1-carbamoylimino-3-methylurea?
The InChIKey is OCBMYUUWIZCEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O2/c1-5-3(9)7-6-2(4)8/h1H3,(H2,4,8)(H,5,9).
What are the key properties of 1-carbamoylimino-3-methylurea?
1-carbamoylimino-3-methylurea has a molecular weight of 130.11 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoylimino-3-methylurea is sourced from PubChem (CID 5273286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).