N'-(6-chloropyridazin-3-yl)-N,N,2,2-tetramethylpropanimidamide

C11H17ClN4 — CID 21192629

IUPACN'-(6-chloropyridazin-3-yl)-N,N,2,2-tetramethylpropanimidamide
SMILESCN(C)/C(=N\c1ccc(Cl)nn1)C(C)(C)C
InChIInChI=1S/C11H17ClN4/c1-11(2,3)10(16(4)5)13-9-7-6-8(12)14-15-9/h6-7H,1-5H3/b13-10-
InChIKeyOPYQNKNZFKMANG-RAXLEYEMSA-N
MW240.74 g/mol
LogP2.77
Rot. Bonds1

About N'-(6-chloropyridazin-3-yl)-N,N,2,2-tetramethylpropanimidamide

N'-(6-chloropyridazin-3-yl)-N,N,2,2-tetramethylpropanimidamide (PubChem CID 21192629) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is N'-(6-chloropyridazin-3-yl)-N,N,2,2-tetramethylpropanimidamide.

Molecular Properties

Compound NameN'-(6-chloropyridazin-3-yl)-N,N,2,2-tetramethylpropanimidamide
PubChem CID21192629
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC NameN'-(6-chloropyridazin-3-yl)-N,N,2,2-tetramethylpropanimidamide
SMILESCN(C)/C(=N\c1ccc(Cl)nn1)C(C)(C)C
InChIInChI=1S/C11H17ClN4/c1-11(2,3)10(16(4)5)13-9-7-6-8(12)14-15-9/h6-7H,1-5H3/b13-10-
InChIKeyOPYQNKNZFKMANG-RAXLEYEMSA-N
XLogP2.77
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 52.77
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(6-chloropyridazin-3-yl)-N,N,2,2-tetramethylpropanimidamide?
The IUPAC name of N'-(6-chloropyridazin-3-yl)-N,N,2,2-tetramethylpropanimidamide (CID 21192629) is N'-(6-chloropyridazin-3-yl)-N,N,2,2-tetramethylpropanimidamide.
What is the SMILES notation for N'-(6-chloropyridazin-3-yl)-N,N,2,2-tetramethylpropanimidamide?
The canonical SMILES for N'-(6-chloropyridazin-3-yl)-N,N,2,2-tetramethylpropanimidamide is CN(C)/C(=N\c1ccc(Cl)nn1)C(C)(C)C.
What is the InChIKey of N'-(6-chloropyridazin-3-yl)-N,N,2,2-tetramethylpropanimidamide?
The InChIKey is OPYQNKNZFKMANG-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-11(2,3)10(16(4)5)13-9-7-6-8(12)14-15-9/h6-7H,1-5H3/b13-10-.
What are the key properties of N'-(6-chloropyridazin-3-yl)-N,N,2,2-tetramethylpropanimidamide?
N'-(6-chloropyridazin-3-yl)-N,N,2,2-tetramethylpropanimidamide has a molecular weight of 240.74 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloropyridazin-3-yl)-N,N,2,2-tetramethylpropanimidamide is sourced from PubChem (CID 21192629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).