4-chloro-2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-one

C12H16ClF3N4O — CID 133431612

IUPAC4-chloro-2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-one
SMILESCC1CN(c2cnn(C)c(=O)c2Cl)CCN1CC(F)(F)F
InChIInChI=1S/C12H16ClF3N4O/c1-8-6-19(3-4-20(8)7-12(14,15)16)9-5-17-18(2)11(21)10(9)13/h5,8H,3-4,6-7H2,1-2H3
InChIKeyIZFZTJNOEZHXCH-UHFFFAOYSA-N
MW324.73 g/mol
LogP1.51
Rot. Bonds2

About 4-chloro-2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-one

4-chloro-2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-one (PubChem CID 133431612) has the molecular formula C12H16ClF3N4O and a molecular weight of 324.73 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-one
PubChem CID133431612
Molecular FormulaC12H16ClF3N4O
Molecular Weight324.73 g/mol
Exact Mass324.10
IUPAC Name4-chloro-2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-one
SMILESCC1CN(c2cnn(C)c(=O)c2Cl)CCN1CC(F)(F)F
InChIInChI=1S/C12H16ClF3N4O/c1-8-6-19(3-4-20(8)7-12(14,15)16)9-5-17-18(2)11(21)10(9)13/h5,8H,3-4,6-7H2,1-2H3
InChIKeyIZFZTJNOEZHXCH-UHFFFAOYSA-N
XLogP1.51
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-one (CID 133431612) is 4-chloro-2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-one is CC1CN(c2cnn(C)c(=O)c2Cl)CCN1CC(F)(F)F.
What is the InChIKey of 4-chloro-2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is IZFZTJNOEZHXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N4O/c1-8-6-19(3-4-20(8)7-12(14,15)16)9-5-17-18(2)11(21)10(9)13/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-one?
4-chloro-2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 324.73 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 133431612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).