1-amino-2-methyl-3-(methylamino)guanidine;hydroiodide

C3H12IN5 — CID 21277249

IUPAC1-amino-2-methyl-3-(methylamino)guanidine;hydroiodide
SMILESC/N=C(\NN)NNC.I
InChIInChI=1S/C3H11N5.HI/c1-5-3(7-4)8-6-2;/h6H,4H2,1-2H3,(H2,5,7,8);1H
InChIKeyKDGDPWWPCKVJTK-UHFFFAOYSA-N
MW245.07 g/mol
LogP-1.22
Rot. Bonds1

About 1-amino-2-methyl-3-(methylamino)guanidine;hydroiodide

1-amino-2-methyl-3-(methylamino)guanidine;hydroiodide (PubChem CID 21277249) has the molecular formula C3H12IN5 and a molecular weight of 245.07 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(methylamino)guanidine;hydroiodide.

Molecular Properties

Compound Name1-amino-2-methyl-3-(methylamino)guanidine;hydroiodide
PubChem CID21277249
Molecular FormulaC3H12IN5
Molecular Weight245.07 g/mol
Exact Mass245.01
IUPAC Name1-amino-2-methyl-3-(methylamino)guanidine;hydroiodide
SMILESC/N=C(\NN)NNC.I
InChIInChI=1S/C3H11N5.HI/c1-5-3(7-4)8-6-2;/h6H,4H2,1-2H3,(H2,5,7,8);1H
InChIKeyKDGDPWWPCKVJTK-UHFFFAOYSA-N
XLogP-1.22
TPSA74.47 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 5-1.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-2-methyl-3-(methylamino)guanidine;hydroiodide 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-amino-2-methyl-3-(methylamino)guanidine;hydroiodide?
The IUPAC name of 1-amino-2-methyl-3-(methylamino)guanidine;hydroiodide (CID 21277249) is 1-amino-2-methyl-3-(methylamino)guanidine;hydroiodide.
What is the SMILES notation for 1-amino-2-methyl-3-(methylamino)guanidine;hydroiodide?
The canonical SMILES for 1-amino-2-methyl-3-(methylamino)guanidine;hydroiodide is C/N=C(\NN)NNC.I.
What is the InChIKey of 1-amino-2-methyl-3-(methylamino)guanidine;hydroiodide?
The InChIKey is KDGDPWWPCKVJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N5.HI/c1-5-3(7-4)8-6-2;/h6H,4H2,1-2H3,(H2,5,7,8);1H.
What are the key properties of 1-amino-2-methyl-3-(methylamino)guanidine;hydroiodide?
1-amino-2-methyl-3-(methylamino)guanidine;hydroiodide has a molecular weight of 245.07 g/mol, XLogP of -1.22, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(methylamino)guanidine;hydroiodide is sourced from PubChem (CID 21277249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).