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

C8H11ClN4 — CID 6822216

IUPACN'-(6-chloropyridazin-3-yl)-N,N-dimethylethanimidamide
SMILESC/C(=N\c1ccc(Cl)nn1)N(C)C
InChIInChI=1S/C8H11ClN4/c1-6(13(2)3)10-8-5-4-7(9)11-12-8/h4-5H,1-3H3/b10-6+
InChIKeyNHXNBGBJOOYSEA-UXBLZVDNSA-N
MW198.66 g/mol
LogP1.74
Rot. Bonds1

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

N'-(6-chloropyridazin-3-yl)-N,N-dimethylethanimidamide (PubChem CID 6822216) has the molecular formula C8H11ClN4 and a molecular weight of 198.66 g/mol. Its IUPAC name is N'-(6-chloropyridazin-3-yl)-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-(6-chloropyridazin-3-yl)-N,N-dimethylethanimidamide
PubChem CID6822216
Molecular FormulaC8H11ClN4
Molecular Weight198.66 g/mol
Exact Mass198.07
IUPAC NameN'-(6-chloropyridazin-3-yl)-N,N-dimethylethanimidamide
SMILESC/C(=N\c1ccc(Cl)nn1)N(C)C
InChIInChI=1S/C8H11ClN4/c1-6(13(2)3)10-8-5-4-7(9)11-12-8/h4-5H,1-3H3/b10-6+
InChIKeyNHXNBGBJOOYSEA-UXBLZVDNSA-N
XLogP1.74
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.66
LogP ≤ 51.74
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-dimethylethanimidamide?
The IUPAC name of N'-(6-chloropyridazin-3-yl)-N,N-dimethylethanimidamide (CID 6822216) is N'-(6-chloropyridazin-3-yl)-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-(6-chloropyridazin-3-yl)-N,N-dimethylethanimidamide?
The canonical SMILES for N'-(6-chloropyridazin-3-yl)-N,N-dimethylethanimidamide is C/C(=N\c1ccc(Cl)nn1)N(C)C.
What is the InChIKey of N'-(6-chloropyridazin-3-yl)-N,N-dimethylethanimidamide?
The InChIKey is NHXNBGBJOOYSEA-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H11ClN4/c1-6(13(2)3)10-8-5-4-7(9)11-12-8/h4-5H,1-3H3/b10-6+.
What are the key properties of N'-(6-chloropyridazin-3-yl)-N,N-dimethylethanimidamide?
N'-(6-chloropyridazin-3-yl)-N,N-dimethylethanimidamide has a molecular weight of 198.66 g/mol, XLogP of 1.74, 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-dimethylethanimidamide is sourced from PubChem (CID 6822216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).