1-amino-3-methylideneurea

C2H5N3O — CID 21187130

IUPAC1-amino-3-methylideneurea
SMILESC=NC(=O)NN
InChIInChI=1S/C2H5N3O/c1-4-2(6)5-3/h1,3H2,(H,5,6)
InChIKeyDUHIOGBDMLILAN-UHFFFAOYSA-N
MW87.08 g/mol
LogP-0.73
Rot. Bonds

About 1-amino-3-methylideneurea

1-amino-3-methylideneurea (PubChem CID 21187130) has the molecular formula C2H5N3O and a molecular weight of 87.08 g/mol. Its IUPAC name is 1-amino-3-methylideneurea.

Molecular Properties

Compound Name1-amino-3-methylideneurea
PubChem CID21187130
Molecular FormulaC2H5N3O
Molecular Weight87.08 g/mol
Exact Mass87.04
IUPAC Name1-amino-3-methylideneurea
SMILESC=NC(=O)NN
InChIInChI=1S/C2H5N3O/c1-4-2(6)5-3/h1,3H2,(H,5,6)
InChIKeyDUHIOGBDMLILAN-UHFFFAOYSA-N
XLogP-0.73
TPSA67.48 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 ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methylideneurea?
The IUPAC name of 1-amino-3-methylideneurea (CID 21187130) is 1-amino-3-methylideneurea.
What is the SMILES notation for 1-amino-3-methylideneurea?
The canonical SMILES for 1-amino-3-methylideneurea is C=NC(=O)NN.
What is the InChIKey of 1-amino-3-methylideneurea?
The InChIKey is DUHIOGBDMLILAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3O/c1-4-2(6)5-3/h1,3H2,(H,5,6).
What are the key properties of 1-amino-3-methylideneurea?
1-amino-3-methylideneurea has a molecular weight of 87.08 g/mol, XLogP of -0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methylideneurea is sourced from PubChem (CID 21187130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).