N-(6-chloropyridazin-3-yl)-N'-methylethanimidamide

C7H9ClN4 — CID 163723977

IUPACN-(6-chloropyridazin-3-yl)-N'-methylethanimidamide
SMILESC/N=C(\C)Nc1ccc(Cl)nn1
InChIInChI=1S/C7H9ClN4/c1-5(9-2)10-7-4-3-6(8)11-12-7/h3-4H,1-2H3,(H,9,10,12)
InChIKeyKUAGOIJFJKFUIO-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.59
Rot. Bonds1

About N-(6-chloropyridazin-3-yl)-N'-methylethanimidamide

N-(6-chloropyridazin-3-yl)-N'-methylethanimidamide (PubChem CID 163723977) has the molecular formula C7H9ClN4 and a molecular weight of 184.63 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-N'-methylethanimidamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-N'-methylethanimidamide
PubChem CID163723977
Molecular FormulaC7H9ClN4
Molecular Weight184.63 g/mol
Exact Mass184.05
IUPAC NameN-(6-chloropyridazin-3-yl)-N'-methylethanimidamide
SMILESC/N=C(\C)Nc1ccc(Cl)nn1
InChIInChI=1S/C7H9ClN4/c1-5(9-2)10-7-4-3-6(8)11-12-7/h3-4H,1-2H3,(H,9,10,12)
InChIKeyKUAGOIJFJKFUIO-UHFFFAOYSA-N
XLogP1.59
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.59
H-Bond Donors ≤ 51
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'-methylethanimidamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-N'-methylethanimidamide (CID 163723977) is N-(6-chloropyridazin-3-yl)-N'-methylethanimidamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-N'-methylethanimidamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-N'-methylethanimidamide is C/N=C(\C)Nc1ccc(Cl)nn1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-N'-methylethanimidamide?
The InChIKey is KUAGOIJFJKFUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4/c1-5(9-2)10-7-4-3-6(8)11-12-7/h3-4H,1-2H3,(H,9,10,12).
What are the key properties of N-(6-chloropyridazin-3-yl)-N'-methylethanimidamide?
N-(6-chloropyridazin-3-yl)-N'-methylethanimidamide has a molecular weight of 184.63 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-N'-methylethanimidamide is sourced from PubChem (CID 163723977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).