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

C14H15ClFN3 — CID 63272022

IUPAC6-chloro-N-[(4-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(N(C)Cc2ccc(F)cc2)c1C
InChIInChI=1S/C14H15ClFN3/c1-9-10(2)14(18-17-13(9)15)19(3)8-11-4-6-12(16)7-5-11/h4-7H,8H2,1-3H3
InChIKeyIWSMXZSRARJICA-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.52
Rot. Bonds3

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

6-chloro-N-[(4-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine (PubChem CID 63272022) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 6-chloro-N-[(4-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
PubChem CID63272022
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name6-chloro-N-[(4-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(N(C)Cc2ccc(F)cc2)c1C
InChIInChI=1S/C14H15ClFN3/c1-9-10(2)14(18-17-13(9)15)19(3)8-11-4-6-12(16)7-5-11/h4-7H,8H2,1-3H3
InChIKeyIWSMXZSRARJICA-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-[(4-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine (CID 63272022) is 6-chloro-N-[(4-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(4-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[(4-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine is Cc1c(Cl)nnc(N(C)Cc2ccc(F)cc2)c1C.
What is the InChIKey of 6-chloro-N-[(4-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine?
The InChIKey is IWSMXZSRARJICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-9-10(2)14(18-17-13(9)15)19(3)8-11-4-6-12(16)7-5-11/h4-7H,8H2,1-3H3.
What are the key properties of 6-chloro-N-[(4-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine?
6-chloro-N-[(4-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-[(4-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine is sourced from PubChem (CID 63272022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).