6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-4-amine

C7H7ClF3N3 — CID 114478131

IUPAC6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-4-amine
SMILESCN(CC(F)(F)F)c1cnnc(Cl)c1
InChIInChI=1S/C7H7ClF3N3/c1-14(4-7(9,10)11)5-2-6(8)13-12-3-5/h2-3H,4H2,1H3
InChIKeyZEGYRZICZHIOSC-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.13
Rot. Bonds2

About 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-4-amine

6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-4-amine (PubChem CID 114478131) has the molecular formula C7H7ClF3N3 and a molecular weight of 225.60 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-4-amine
PubChem CID114478131
Molecular FormulaC7H7ClF3N3
Molecular Weight225.60 g/mol
Exact Mass225.03
IUPAC Name6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-4-amine
SMILESCN(CC(F)(F)F)c1cnnc(Cl)c1
InChIInChI=1S/C7H7ClF3N3/c1-14(4-7(9,10)11)5-2-6(8)13-12-3-5/h2-3H,4H2,1H3
InChIKeyZEGYRZICZHIOSC-UHFFFAOYSA-N
XLogP2.13
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine
CID 114478281
3-Chloro-5-(3,3-difluoroazetidin-1-yl)pyridazine
CID 127263084
3-Chloro-5-(4,4-difluoropiperidin-1-yl)pyridazine
CID 164644524
3-Chloro-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine
CID 165128824
3,6-Dichloro-4-(3,3-difluoroazetidin-1-yl)pyridazine
CID 172561458
3-Chloro-5-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridazine
CID 176574584
3,6-dichloro-N,N-bis(prop-2-enyl)pyridazin-4-amine
CID 318721
3,6-dichloro-N-(2,2,2-trifluoroethyl)pyridazin-4-amine
CID 81764254
3,6-dichloro-N-(3,3,3-trifluoropropyl)pyridazin-4-amine
CID 81765054
3,6-dichloro-N-(2,2-difluoroethyl)pyridazin-4-amine
CID 81765152
3,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-4-amine
CID 81765573
3,6-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridazin-4-amine
CID 81765577

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-4-amine (CID 114478131) is 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-4-amine is CN(CC(F)(F)F)c1cnnc(Cl)c1.
What is the InChIKey of 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-4-amine?
The InChIKey is ZEGYRZICZHIOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3/c1-14(4-7(9,10)11)5-2-6(8)13-12-3-5/h2-3H,4H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-4-amine?
6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-4-amine has a molecular weight of 225.60 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-4-amine is sourced from PubChem (CID 114478131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).