N'-(6-chloropyridazin-3-yl)-N,N-dimethylpropanimidamide

C9H13ClN4 — CID 22595790

IUPACN'-(6-chloropyridazin-3-yl)-N,N-dimethylpropanimidamide
SMILESCC/C(=N\c1ccc(Cl)nn1)N(C)C
InChIInChI=1S/C9H13ClN4/c1-4-9(14(2)3)11-8-6-5-7(10)12-13-8/h5-6H,4H2,1-3H3/b11-9+
InChIKeyQBZTZGKRZYOCJU-PKNBQFBNSA-N
MW212.68 g/mol
LogP2.13
Rot. Bonds2

About N'-(6-chloropyridazin-3-yl)-N,N-dimethylpropanimidamide

N'-(6-chloropyridazin-3-yl)-N,N-dimethylpropanimidamide (PubChem CID 22595790) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is N'-(6-chloropyridazin-3-yl)-N,N-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-(6-chloropyridazin-3-yl)-N,N-dimethylpropanimidamide
PubChem CID22595790
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC NameN'-(6-chloropyridazin-3-yl)-N,N-dimethylpropanimidamide
SMILESCC/C(=N\c1ccc(Cl)nn1)N(C)C
InChIInChI=1S/C9H13ClN4/c1-4-9(14(2)3)11-8-6-5-7(10)12-13-8/h5-6H,4H2,1-3H3/b11-9+
InChIKeyQBZTZGKRZYOCJU-PKNBQFBNSA-N
XLogP2.13
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.13
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-dimethylpropanimidamide?
The IUPAC name of N'-(6-chloropyridazin-3-yl)-N,N-dimethylpropanimidamide (CID 22595790) is N'-(6-chloropyridazin-3-yl)-N,N-dimethylpropanimidamide.
What is the SMILES notation for N'-(6-chloropyridazin-3-yl)-N,N-dimethylpropanimidamide?
The canonical SMILES for N'-(6-chloropyridazin-3-yl)-N,N-dimethylpropanimidamide is CC/C(=N\c1ccc(Cl)nn1)N(C)C.
What is the InChIKey of N'-(6-chloropyridazin-3-yl)-N,N-dimethylpropanimidamide?
The InChIKey is QBZTZGKRZYOCJU-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H13ClN4/c1-4-9(14(2)3)11-8-6-5-7(10)12-13-8/h5-6H,4H2,1-3H3/b11-9+.
What are the key properties of N'-(6-chloropyridazin-3-yl)-N,N-dimethylpropanimidamide?
N'-(6-chloropyridazin-3-yl)-N,N-dimethylpropanimidamide has a molecular weight of 212.68 g/mol, XLogP of 2.13, 2 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-dimethylpropanimidamide is sourced from PubChem (CID 22595790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).