6-chloro-4-(2,4-dimethylphenyl)pyridazin-3-amine

C12H12ClN3 — CID 22024492

IUPAC6-chloro-4-(2,4-dimethylphenyl)pyridazin-3-amine
SMILESCc1ccc(-c2cc(Cl)nnc2N)c(C)c1
InChIInChI=1S/C12H12ClN3/c1-7-3-4-9(8(2)5-7)10-6-11(13)15-16-12(10)14/h3-6H,1-2H3,(H2,14,16)
InChIKeyVBGYOKVJCHCMAF-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.00
Rot. Bonds1

About 6-chloro-4-(2,4-dimethylphenyl)pyridazin-3-amine

6-chloro-4-(2,4-dimethylphenyl)pyridazin-3-amine (PubChem CID 22024492) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 6-chloro-4-(2,4-dimethylphenyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-4-(2,4-dimethylphenyl)pyridazin-3-amine
PubChem CID22024492
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name6-chloro-4-(2,4-dimethylphenyl)pyridazin-3-amine
SMILESCc1ccc(-c2cc(Cl)nnc2N)c(C)c1
InChIInChI=1S/C12H12ClN3/c1-7-3-4-9(8(2)5-7)10-6-11(13)15-16-12(10)14/h3-6H,1-2H3,(H2,14,16)
InChIKeyVBGYOKVJCHCMAF-UHFFFAOYSA-N
XLogP3.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine
CID 141218795
4-(2,4-dimethylphenyl)pyridin-3-amine
CID 80503034
5-(2,4-dimethylphenyl)-2-methylpyrimidin-4-amine
CID 82284415
3-(2,4-dimethylphenyl)-4-methylaniline
CID 63334523
4-(2,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
CID 82469635
5-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 61025121
2,4,6-tris(2,4-dimethylphenyl)-5H-pyrimidin-5-ide;vanadium
CID 58604237
4-amino-2-(2,4-dimethylphenyl)phenol
CID 22706633
3-(2,4-dimethylphenyl)-4-fluoroaniline
CID 104781174
5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine
CID 116864287
4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine
CID 43557888
2-(4-chloronaphthalen-1-yl)-5-methylaniline
CID 82766855

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2,4-dimethylphenyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-4-(2,4-dimethylphenyl)pyridazin-3-amine (CID 22024492) is 6-chloro-4-(2,4-dimethylphenyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-4-(2,4-dimethylphenyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-4-(2,4-dimethylphenyl)pyridazin-3-amine is Cc1ccc(-c2cc(Cl)nnc2N)c(C)c1.
What is the InChIKey of 6-chloro-4-(2,4-dimethylphenyl)pyridazin-3-amine?
The InChIKey is VBGYOKVJCHCMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-7-3-4-9(8(2)5-7)10-6-11(13)15-16-12(10)14/h3-6H,1-2H3,(H2,14,16).
What are the key properties of 6-chloro-4-(2,4-dimethylphenyl)pyridazin-3-amine?
6-chloro-4-(2,4-dimethylphenyl)pyridazin-3-amine has a molecular weight of 233.70 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2,4-dimethylphenyl)pyridazin-3-amine is sourced from PubChem (CID 22024492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).