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

C14H15ClFN3 — CID 63271583

IUPAC6-chloro-N-[(3-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(N(C)Cc2cccc(F)c2)c1C
InChIInChI=1S/C14H15ClFN3/c1-9-10(2)14(18-17-13(9)15)19(3)8-11-5-4-6-12(16)7-11/h4-7H,8H2,1-3H3
InChIKeyVPTOOZPTNFBLIA-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.52
Rot. Bonds3

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

6-chloro-N-[(3-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine (PubChem CID 63271583) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 6-chloro-N-[(3-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
PubChem CID63271583
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name6-chloro-N-[(3-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(N(C)Cc2cccc(F)c2)c1C
InChIInChI=1S/C14H15ClFN3/c1-9-10(2)14(18-17-13(9)15)19(3)8-11-5-4-6-12(16)7-11/h4-7H,8H2,1-3H3
InChIKeyVPTOOZPTNFBLIA-UHFFFAOYSA-N
XLogP3.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-cyclopropyl-N-[(3-fluorophenyl)methyl]-N,5-dimethylpyrimidin-4-amine
CID 80979874
N-[(4-bromophenyl)methyl]-6-chloro-N,4,5-trimethylpyridazin-3-amine
CID 63272064
5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076152
2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 62477954
6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine
CID 43330314
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80749797
6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61228402
2-[(3-fluorophenyl)methyl-methylamino]-4,6-dimethylpyridine-3-carbothioamide
CID 61175772
6-chloro-N,4,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridazin-3-amine
CID 63271589
6-[(3-fluorophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde
CID 80638492
4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 28946499
3-[(3-fluorophenyl)methyl-methylamino]pyridazine-4-carboxylic acid
CID 80517596

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-[(3-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine (CID 63271583) is 6-chloro-N-[(3-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(3-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[(3-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine is Cc1c(Cl)nnc(N(C)Cc2cccc(F)c2)c1C.
What is the InChIKey of 6-chloro-N-[(3-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine?
The InChIKey is VPTOOZPTNFBLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-9-10(2)14(18-17-13(9)15)19(3)8-11-5-4-6-12(16)7-11/h4-7H,8H2,1-3H3.
What are the key properties of 6-chloro-N-[(3-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine?
6-chloro-N-[(3-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine has a molecular weight of 279.75 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine is sourced from PubChem (CID 63271583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).