3-chloro-4,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine

C12H16ClF3N4 — CID 63272440

IUPAC3-chloro-4,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine
SMILESCc1c(Cl)nnc(N2CCN(CC(F)(F)F)CC2)c1C
InChIInChI=1S/C12H16ClF3N4/c1-8-9(2)11(18-17-10(8)13)20-5-3-19(4-6-20)7-12(14,15)16/h3-7H2,1-2H3
InChIKeyIMFBPOBYQQRHSQ-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.43
Rot. Bonds2

About 3-chloro-4,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine

3-chloro-4,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine (PubChem CID 63272440) has the molecular formula C12H16ClF3N4 and a molecular weight of 308.74 g/mol. Its IUPAC name is 3-chloro-4,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-4,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine
PubChem CID63272440
Molecular FormulaC12H16ClF3N4
Molecular Weight308.74 g/mol
Exact Mass308.10
IUPAC Name3-chloro-4,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine
SMILESCc1c(Cl)nnc(N2CCN(CC(F)(F)F)CC2)c1C
InChIInChI=1S/C12H16ClF3N4/c1-8-9(2)11(18-17-10(8)13)20-5-3-19(4-6-20)7-12(14,15)16/h3-7H2,1-2H3
InChIKeyIMFBPOBYQQRHSQ-UHFFFAOYSA-N
XLogP2.43
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-chloro-4,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine (CID 63272440) is 3-chloro-4,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-4,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-chloro-4,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine is Cc1c(Cl)nnc(N2CCN(CC(F)(F)F)CC2)c1C.
What is the InChIKey of 3-chloro-4,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine?
The InChIKey is IMFBPOBYQQRHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N4/c1-8-9(2)11(18-17-10(8)13)20-5-3-19(4-6-20)7-12(14,15)16/h3-7H2,1-2H3.
What are the key properties of 3-chloro-4,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine?
3-chloro-4,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine has a molecular weight of 308.74 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 63272440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).