2-(6-chloropyridazin-3-yl)-1,1,3,3-tetramethylguanidine

C9H14ClN5 — CID 22595787

IUPAC2-(6-chloropyridazin-3-yl)-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=Nc1ccc(Cl)nn1)N(C)C
InChIInChI=1S/C9H14ClN5/c1-14(2)9(15(3)4)11-8-6-5-7(10)12-13-8/h5-6H,1-4H3
InChIKeyWXDZUZWRLAMWKN-UHFFFAOYSA-N
MW227.70 g/mol
LogP1.24
Rot. Bonds1

About 2-(6-chloropyridazin-3-yl)-1,1,3,3-tetramethylguanidine

2-(6-chloropyridazin-3-yl)-1,1,3,3-tetramethylguanidine (PubChem CID 22595787) has the molecular formula C9H14ClN5 and a molecular weight of 227.70 g/mol. Its IUPAC name is 2-(6-chloropyridazin-3-yl)-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-(6-chloropyridazin-3-yl)-1,1,3,3-tetramethylguanidine
PubChem CID22595787
Molecular FormulaC9H14ClN5
Molecular Weight227.70 g/mol
Exact Mass227.09
IUPAC Name2-(6-chloropyridazin-3-yl)-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=Nc1ccc(Cl)nn1)N(C)C
InChIInChI=1S/C9H14ClN5/c1-14(2)9(15(3)4)11-8-6-5-7(10)12-13-8/h5-6H,1-4H3
InChIKeyWXDZUZWRLAMWKN-UHFFFAOYSA-N
XLogP1.24
TPSA44.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(6-chloropyridazin-3-yl)-1,1,3,3-tetramethylguanidine 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 2-(6-chloropyridazin-3-yl)-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-(6-chloropyridazin-3-yl)-1,1,3,3-tetramethylguanidine (CID 22595787) is 2-(6-chloropyridazin-3-yl)-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-(6-chloropyridazin-3-yl)-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-(6-chloropyridazin-3-yl)-1,1,3,3-tetramethylguanidine is CN(C)C(=Nc1ccc(Cl)nn1)N(C)C.
What is the InChIKey of 2-(6-chloropyridazin-3-yl)-1,1,3,3-tetramethylguanidine?
The InChIKey is WXDZUZWRLAMWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5/c1-14(2)9(15(3)4)11-8-6-5-7(10)12-13-8/h5-6H,1-4H3.
What are the key properties of 2-(6-chloropyridazin-3-yl)-1,1,3,3-tetramethylguanidine?
2-(6-chloropyridazin-3-yl)-1,1,3,3-tetramethylguanidine has a molecular weight of 227.70 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyridazin-3-yl)-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 22595787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).