6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine

C13H13ClFN3 — CID 63271586

IUPAC6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(NCc2ccccc2F)c1C
InChIInChI=1S/C13H13ClFN3/c1-8-9(2)13(18-17-12(8)14)16-7-10-5-3-4-6-11(10)15/h3-6H,7H2,1-2H3,(H,16,18)
InChIKeyYQKSKVDCXDFZHF-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.50
Rot. Bonds3

About 6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine

6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine (PubChem CID 63271586) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
PubChem CID63271586
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(NCc2ccccc2F)c1C
InChIInChI=1S/C13H13ClFN3/c1-8-9(2)13(18-17-12(8)14)16-7-10-5-3-4-6-11(10)15/h3-6H,7H2,1-2H3,(H,16,18)
InChIKeyYQKSKVDCXDFZHF-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]methyl]phenol
CID 106196541
6-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-4,5-dimethylpyridazin-3-amine
CID 106192887
N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine
CID 63271969
2-tert-butyl-6-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 80979589
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271953
2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine
CID 114050780
6-bromo-2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178114610
6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 66325604
6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271766
6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine
CID 63271688
2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
6-chloro-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 63271501

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine (CID 63271586) is 6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine is Cc1c(Cl)nnc(NCc2ccccc2F)c1C.
What is the InChIKey of 6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine?
The InChIKey is YQKSKVDCXDFZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-8-9(2)13(18-17-12(8)14)16-7-10-5-3-4-6-11(10)15/h3-6H,7H2,1-2H3,(H,16,18).
What are the key properties of 6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine?
6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine has a molecular weight of 265.72 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 63271586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).