1-imino-3-methylurea

C2H5N3O — CID 90803104

IUPAC1-imino-3-methylurea
SMILES[H]/N=N/C(=O)NC
InChIInChI=1S/C2H5N3O/c1-4-2(6)5-3/h3H,1H3,(H,4,6)/b5-3+
InChIKeyHIDRYJUSTUIVHN-HWKANZROSA-N
MW87.08 g/mol
LogP0.36
Rot. Bonds

About 1-imino-3-methylurea

1-imino-3-methylurea (PubChem CID 90803104) has the molecular formula C2H5N3O and a molecular weight of 87.08 g/mol. Its IUPAC name is 1-imino-3-methylurea.

Molecular Properties

Compound Name1-imino-3-methylurea
PubChem CID90803104
Molecular FormulaC2H5N3O
Molecular Weight87.08 g/mol
Exact Mass87.04
IUPAC Name1-imino-3-methylurea
SMILES[H]/N=N/C(=O)NC
InChIInChI=1S/C2H5N3O/c1-4-2(6)5-3/h3H,1H3,(H,4,6)/b5-3+
InChIKeyHIDRYJUSTUIVHN-HWKANZROSA-N
XLogP0.36
TPSA65.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.08
LogP ≤ 50.36
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'}

Analyze 1-imino-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-imino-3-methylurea?
The IUPAC name of 1-imino-3-methylurea (CID 90803104) is 1-imino-3-methylurea.
What is the SMILES notation for 1-imino-3-methylurea?
The canonical SMILES for 1-imino-3-methylurea is [H]/N=N/C(=O)NC.
What is the InChIKey of 1-imino-3-methylurea?
The InChIKey is HIDRYJUSTUIVHN-HWKANZROSA-N. The full InChI is InChI=1S/C2H5N3O/c1-4-2(6)5-3/h3H,1H3,(H,4,6)/b5-3+.
What are the key properties of 1-imino-3-methylurea?
1-imino-3-methylurea has a molecular weight of 87.08 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-3-methylurea is sourced from PubChem (CID 90803104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).