3-amino-1-(2-amino-3-pyridinyl)-1-methylurea

C7H11N5O — CID 3330766

IUPAC3-amino-1-(2-amino-3-pyridinyl)-1-methylurea
SMILESCN(C(=O)NN)c1cccnc1N
InChIInChI=1S/C7H11N5O/c1-12(7(13)11-9)5-3-2-4-10-6(5)8/h2-4H,9H2,1H3,(H2,8,10)(H,11,13)
InChIKeyAJKKKNZVQPEVIZ-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.32
Rot. Bonds1

About 3-amino-1-(2-amino-3-pyridinyl)-1-methylurea

3-amino-1-(2-amino-3-pyridinyl)-1-methylurea (PubChem CID 3330766) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 3-amino-1-(2-amino-3-pyridinyl)-1-methylurea.

Molecular Properties

Compound Name3-amino-1-(2-amino-3-pyridinyl)-1-methylurea
PubChem CID3330766
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name3-amino-1-(2-amino-3-pyridinyl)-1-methylurea
SMILESCN(C(=O)NN)c1cccnc1N
InChIInChI=1S/C7H11N5O/c1-12(7(13)11-9)5-3-2-4-10-6(5)8/h2-4H,9H2,1H3,(H2,8,10)(H,11,13)
InChIKeyAJKKKNZVQPEVIZ-UHFFFAOYSA-N
XLogP-0.32
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-1-(2-amino-3-pyridinyl)-1-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 3-amino-1-(2-amino-3-pyridinyl)-1-methylurea?
The IUPAC name of 3-amino-1-(2-amino-3-pyridinyl)-1-methylurea (CID 3330766) is 3-amino-1-(2-amino-3-pyridinyl)-1-methylurea.
What is the SMILES notation for 3-amino-1-(2-amino-3-pyridinyl)-1-methylurea?
The canonical SMILES for 3-amino-1-(2-amino-3-pyridinyl)-1-methylurea is CN(C(=O)NN)c1cccnc1N.
What is the InChIKey of 3-amino-1-(2-amino-3-pyridinyl)-1-methylurea?
The InChIKey is AJKKKNZVQPEVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-12(7(13)11-9)5-3-2-4-10-6(5)8/h2-4H,9H2,1H3,(H2,8,10)(H,11,13).
What are the key properties of 3-amino-1-(2-amino-3-pyridinyl)-1-methylurea?
3-amino-1-(2-amino-3-pyridinyl)-1-methylurea has a molecular weight of 181.20 g/mol, XLogP of -0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-amino-3-pyridinyl)-1-methylurea is sourced from PubChem (CID 3330766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).