N'-(6-chloro-4-methylpyridazin-3-yl)-N,N-dimethylmethanimidamide

C8H11ClN4 — CID 86651234

IUPACN'-(6-chloro-4-methylpyridazin-3-yl)-N,N-dimethylmethanimidamide
SMILESCc1cc(Cl)nnc1/N=C/N(C)C
InChIInChI=1S/C8H11ClN4/c1-6-4-7(9)11-12-8(6)10-5-13(2)3/h4-5H,1-3H3/b10-5+
InChIKeyOZGRJOGIQYGAPK-BJMVGYQFSA-N
MW198.66 g/mol
LogP1.66
Rot. Bonds2

About N'-(6-chloro-4-methylpyridazin-3-yl)-N,N-dimethylmethanimidamide

N'-(6-chloro-4-methylpyridazin-3-yl)-N,N-dimethylmethanimidamide (PubChem CID 86651234) has the molecular formula C8H11ClN4 and a molecular weight of 198.66 g/mol. Its IUPAC name is N'-(6-chloro-4-methylpyridazin-3-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(6-chloro-4-methylpyridazin-3-yl)-N,N-dimethylmethanimidamide
PubChem CID86651234
Molecular FormulaC8H11ClN4
Molecular Weight198.66 g/mol
Exact Mass198.07
IUPAC NameN'-(6-chloro-4-methylpyridazin-3-yl)-N,N-dimethylmethanimidamide
SMILESCc1cc(Cl)nnc1/N=C/N(C)C
InChIInChI=1S/C8H11ClN4/c1-6-4-7(9)11-12-8(6)10-5-13(2)3/h4-5H,1-3H3/b10-5+
InChIKeyOZGRJOGIQYGAPK-BJMVGYQFSA-N
XLogP1.66
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.66
LogP ≤ 51.66
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-chloro-4-methylpyridazin-3-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(6-chloro-4-methylpyridazin-3-yl)-N,N-dimethylmethanimidamide (CID 86651234) is N'-(6-chloro-4-methylpyridazin-3-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(6-chloro-4-methylpyridazin-3-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(6-chloro-4-methylpyridazin-3-yl)-N,N-dimethylmethanimidamide is Cc1cc(Cl)nnc1/N=C/N(C)C.
What is the InChIKey of N'-(6-chloro-4-methylpyridazin-3-yl)-N,N-dimethylmethanimidamide?
The InChIKey is OZGRJOGIQYGAPK-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H11ClN4/c1-6-4-7(9)11-12-8(6)10-5-13(2)3/h4-5H,1-3H3/b10-5+.
What are the key properties of N'-(6-chloro-4-methylpyridazin-3-yl)-N,N-dimethylmethanimidamide?
N'-(6-chloro-4-methylpyridazin-3-yl)-N,N-dimethylmethanimidamide has a molecular weight of 198.66 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-4-methylpyridazin-3-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 86651234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).