N'-(6-chloro-5-methylpyridazin-3-yl)-N,N-dimethylethanimidamide

C9H13ClN4 — CID 10608620

IUPACN'-(6-chloro-5-methylpyridazin-3-yl)-N,N-dimethylethanimidamide
SMILESC/C(=N\c1cc(C)c(Cl)nn1)N(C)C
InChIInChI=1S/C9H13ClN4/c1-6-5-8(12-13-9(6)10)11-7(2)14(3)4/h5H,1-4H3/b11-7+
InChIKeyLEKCLPCRVIWDCZ-YRNVUSSQSA-N
MW212.68 g/mol
LogP2.05
Rot. Bonds1

About N'-(6-chloro-5-methylpyridazin-3-yl)-N,N-dimethylethanimidamide

N'-(6-chloro-5-methylpyridazin-3-yl)-N,N-dimethylethanimidamide (PubChem CID 10608620) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is N'-(6-chloro-5-methylpyridazin-3-yl)-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-(6-chloro-5-methylpyridazin-3-yl)-N,N-dimethylethanimidamide
PubChem CID10608620
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC NameN'-(6-chloro-5-methylpyridazin-3-yl)-N,N-dimethylethanimidamide
SMILESC/C(=N\c1cc(C)c(Cl)nn1)N(C)C
InChIInChI=1S/C9H13ClN4/c1-6-5-8(12-13-9(6)10)11-7(2)14(3)4/h5H,1-4H3/b11-7+
InChIKeyLEKCLPCRVIWDCZ-YRNVUSSQSA-N
XLogP2.05
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.05
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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Related Compounds

6-Chloro-4-methylpyridazin-3-amine
CID 12353664
6-Chloro-5-methylpyridazin-3-amine
CID 12353663
N'-(6-chloropyridazin-3-yl)-N,N-dimethylethanimidamide
CID 6822216
[2-(6-Chloro-3-pyridazinyl)-2-azavinyl]dimethylamine
CID 6802247
N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethylethanimidamide
CID 12463165
N,N-dimethyl-N'-(6-chloropyridazin-3-yl)pivalamidine
CID 21192629
2-(6-Chloropyridazin-3-yl)-1,1,3,3-tetramethylguanidine
CID 22595787
N'-(6-chloropyridazin-3-yl)-N,N-dimethylpropanimidamide
CID 22595790
6-chloro-N,N,5-trimethylpyridazin-3-amine
CID 59762784
6-Chloro-3-isothiocyanato-4-methylpyridazine
CID 86632873
N'-(6-chloro-4-methyl-pyridazin-3-yl)-N,N-dimethyl-formamidine
CID 86651234
N'-(6-chloro-5-methylpyridazin-3-yl)-N,N-dimethylmethanimidamide
CID 87211936

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-5-methylpyridazin-3-yl)-N,N-dimethylethanimidamide?
The IUPAC name of N'-(6-chloro-5-methylpyridazin-3-yl)-N,N-dimethylethanimidamide (CID 10608620) is N'-(6-chloro-5-methylpyridazin-3-yl)-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-(6-chloro-5-methylpyridazin-3-yl)-N,N-dimethylethanimidamide?
The canonical SMILES for N'-(6-chloro-5-methylpyridazin-3-yl)-N,N-dimethylethanimidamide is C/C(=N\c1cc(C)c(Cl)nn1)N(C)C.
What is the InChIKey of N'-(6-chloro-5-methylpyridazin-3-yl)-N,N-dimethylethanimidamide?
The InChIKey is LEKCLPCRVIWDCZ-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H13ClN4/c1-6-5-8(12-13-9(6)10)11-7(2)14(3)4/h5H,1-4H3/b11-7+.
What are the key properties of N'-(6-chloro-5-methylpyridazin-3-yl)-N,N-dimethylethanimidamide?
N'-(6-chloro-5-methylpyridazin-3-yl)-N,N-dimethylethanimidamide has a molecular weight of 212.68 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-5-methylpyridazin-3-yl)-N,N-dimethylethanimidamide is sourced from PubChem (CID 10608620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).