6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine

C13H12Cl2FN3 — CID 63271953

IUPAC6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(NCc2ccc(F)c(Cl)c2)c1C
InChIInChI=1S/C13H12Cl2FN3/c1-7-8(2)13(19-18-12(7)15)17-6-9-3-4-11(16)10(14)5-9/h3-5H,6H2,1-2H3,(H,17,19)
InChIKeyZUTKFSPAOWHOSB-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.15
Rot. Bonds3

About 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine

6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine (PubChem CID 63271953) has the molecular formula C13H12Cl2FN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
PubChem CID63271953
Molecular FormulaC13H12Cl2FN3
Molecular Weight300.16 g/mol
Exact Mass299.04
IUPAC Name6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(NCc2ccc(F)c(Cl)c2)c1C
InChIInChI=1S/C13H12Cl2FN3/c1-7-8(2)13(19-18-12(7)15)17-6-9-3-4-11(16)10(14)5-9/h3-5H,6H2,1-2H3,(H,17,19)
InChIKeyZUTKFSPAOWHOSB-UHFFFAOYSA-N
XLogP4.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 106900542
N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine
CID 63271969
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80832814
3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
CID 102750986
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80803504
6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271766
N-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine
CID 62537479
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine
CID 106875693
5-bromo-6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
CID 114071730
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80985285
N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 81144106
3-N-[(3-chloro-4-fluorophenyl)methyl]-5-methylbenzene-1,3-diamine
CID 112647695

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine (CID 63271953) is 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine is Cc1c(Cl)nnc(NCc2ccc(F)c(Cl)c2)c1C.
What is the InChIKey of 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine?
The InChIKey is ZUTKFSPAOWHOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2FN3/c1-7-8(2)13(19-18-12(7)15)17-6-9-3-4-11(16)10(14)5-9/h3-5H,6H2,1-2H3,(H,17,19).
What are the key properties of 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine?
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine has a molecular weight of 300.16 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 63271953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).