3-(3-methylpyrazol-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine

C15H19F3N6 — CID 133431533

IUPAC3-(3-methylpyrazol-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine
SMILESCc1ccn(-c2ccc(N3CCN(CC(F)(F)F)C(C)C3)nn2)n1
InChIInChI=1S/C15H19F3N6/c1-11-5-6-24(21-11)14-4-3-13(19-20-14)22-7-8-23(12(2)9-22)10-15(16,17)18/h3-6,12H,7-10H2,1-2H3
InChIKeyBAXGACDOSYBPTB-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.04
Rot. Bonds3

About 3-(3-methylpyrazol-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine

3-(3-methylpyrazol-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine (PubChem CID 133431533) has the molecular formula C15H19F3N6 and a molecular weight of 340.35 g/mol. Its IUPAC name is 3-(3-methylpyrazol-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(3-methylpyrazol-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine
PubChem CID133431533
Molecular FormulaC15H19F3N6
Molecular Weight340.35 g/mol
Exact Mass340.16
IUPAC Name3-(3-methylpyrazol-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine
SMILESCc1ccn(-c2ccc(N3CCN(CC(F)(F)F)C(C)C3)nn2)n1
InChIInChI=1S/C15H19F3N6/c1-11-5-6-24(21-11)14-4-3-13(19-20-14)22-7-8-23(12(2)9-22)10-15(16,17)18/h3-6,12H,7-10H2,1-2H3
InChIKeyBAXGACDOSYBPTB-UHFFFAOYSA-N
XLogP2.04
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazol-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-(3-methylpyrazol-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine (CID 133431533) is 3-(3-methylpyrazol-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(3-methylpyrazol-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-(3-methylpyrazol-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine is Cc1ccn(-c2ccc(N3CCN(CC(F)(F)F)C(C)C3)nn2)n1.
What is the InChIKey of 3-(3-methylpyrazol-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine?
The InChIKey is BAXGACDOSYBPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6/c1-11-5-6-24(21-11)14-4-3-13(19-20-14)22-7-8-23(12(2)9-22)10-15(16,17)18/h3-6,12H,7-10H2,1-2H3.
What are the key properties of 3-(3-methylpyrazol-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine?
3-(3-methylpyrazol-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine has a molecular weight of 340.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazol-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 133431533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).