1-cyano-2-methyl-3-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethyl]guanidine

C10H15N7O — CID 54217504

IUPAC1-cyano-2-methyl-3-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethyl]guanidine
SMILESC/N=C(\NC#N)NCCN(C)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H15N7O/c1-12-10(14-7-11)13-5-6-17(2)8-3-4-9(18)16-15-8/h3-4H,5-6H2,1-2H3,(H,16,18)(H2,12,13,14)
InChIKeyQAFYQVYDYXWIKI-UHFFFAOYSA-N
MW249.28 g/mol
LogP-1.15
Rot. Bonds4

About 1-cyano-2-methyl-3-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethyl]guanidine

1-cyano-2-methyl-3-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethyl]guanidine (PubChem CID 54217504) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-cyano-2-methyl-3-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-cyano-2-methyl-3-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethyl]guanidine
PubChem CID54217504
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name1-cyano-2-methyl-3-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethyl]guanidine
SMILESC/N=C(\NC#N)NCCN(C)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H15N7O/c1-12-10(14-7-11)13-5-6-17(2)8-3-4-9(18)16-15-8/h3-4H,5-6H2,1-2H3,(H,16,18)(H2,12,13,14)
InChIKeyQAFYQVYDYXWIKI-UHFFFAOYSA-N
XLogP-1.15
TPSA109.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-cyano-2-methyl-3-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethyl]guanidine 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-cyano-2-methyl-3-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethyl]guanidine?
The IUPAC name of 1-cyano-2-methyl-3-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethyl]guanidine (CID 54217504) is 1-cyano-2-methyl-3-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethyl]guanidine.
What is the SMILES notation for 1-cyano-2-methyl-3-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethyl]guanidine?
The canonical SMILES for 1-cyano-2-methyl-3-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethyl]guanidine is C/N=C(\NC#N)NCCN(C)c1ccc(=O)[nH]n1.
What is the InChIKey of 1-cyano-2-methyl-3-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethyl]guanidine?
The InChIKey is QAFYQVYDYXWIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-12-10(14-7-11)13-5-6-17(2)8-3-4-9(18)16-15-8/h3-4H,5-6H2,1-2H3,(H,16,18)(H2,12,13,14).
What are the key properties of 1-cyano-2-methyl-3-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethyl]guanidine?
1-cyano-2-methyl-3-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethyl]guanidine has a molecular weight of 249.28 g/mol, XLogP of -1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-methyl-3-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethyl]guanidine is sourced from PubChem (CID 54217504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).