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

C7H9ClN4 — CID 6802247

IUPACN'-(6-chloropyridazin-3-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(Cl)nn1
InChIInChI=1S/C7H9ClN4/c1-12(2)5-9-7-4-3-6(8)10-11-7/h3-5H,1-2H3/b9-5+
InChIKeyPXNSZQOCCRKKAQ-WEVVVXLNSA-N
MW184.63 g/mol
LogP1.35
Rot. Bonds2

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

N'-(6-chloropyridazin-3-yl)-N,N-dimethylmethanimidamide (PubChem CID 6802247) has the molecular formula C7H9ClN4 and a molecular weight of 184.63 g/mol. Its IUPAC name is N'-(6-chloropyridazin-3-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(6-chloropyridazin-3-yl)-N,N-dimethylmethanimidamide
PubChem CID6802247
Molecular FormulaC7H9ClN4
Molecular Weight184.63 g/mol
Exact Mass184.05
IUPAC NameN'-(6-chloropyridazin-3-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(Cl)nn1
InChIInChI=1S/C7H9ClN4/c1-12(2)5-9-7-4-3-6(8)10-11-7/h3-5H,1-2H3/b9-5+
InChIKeyPXNSZQOCCRKKAQ-WEVVVXLNSA-N
XLogP1.35
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.35
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-dimethylmethanimidamide?
The IUPAC name of N'-(6-chloropyridazin-3-yl)-N,N-dimethylmethanimidamide (CID 6802247) is N'-(6-chloropyridazin-3-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(6-chloropyridazin-3-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(6-chloropyridazin-3-yl)-N,N-dimethylmethanimidamide is CN(C)/C=N/c1ccc(Cl)nn1.
What is the InChIKey of N'-(6-chloropyridazin-3-yl)-N,N-dimethylmethanimidamide?
The InChIKey is PXNSZQOCCRKKAQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H9ClN4/c1-12(2)5-9-7-4-3-6(8)10-11-7/h3-5H,1-2H3/b9-5+.
What are the key properties of N'-(6-chloropyridazin-3-yl)-N,N-dimethylmethanimidamide?
N'-(6-chloropyridazin-3-yl)-N,N-dimethylmethanimidamide has a molecular weight of 184.63 g/mol, XLogP of 1.35, 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-dimethylmethanimidamide is sourced from PubChem (CID 6802247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).