3-(4-pentan-3-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine

C20H25F3N4 — CID 70961370

IUPAC3-(4-pentan-3-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine
SMILESCCC(CC)N1CCN(c2ccc(-c3ccc(C(F)(F)F)cc3)nn2)CC1
InChIInChI=1S/C20H25F3N4/c1-3-17(4-2)26-11-13-27(14-12-26)19-10-9-18(24-25-19)15-5-7-16(8-6-15)20(21,22)23/h5-10,17H,3-4,11-14H2,1-2H3
InChIKeyCAPQGFOQQQUIGG-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.47
Rot. Bonds5

About 3-(4-pentan-3-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine

3-(4-pentan-3-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine (PubChem CID 70961370) has the molecular formula C20H25F3N4 and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-(4-pentan-3-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name3-(4-pentan-3-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine
PubChem CID70961370
Molecular FormulaC20H25F3N4
Molecular Weight378.44 g/mol
Exact Mass378.20
IUPAC Name3-(4-pentan-3-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine
SMILESCCC(CC)N1CCN(c2ccc(-c3ccc(C(F)(F)F)cc3)nn2)CC1
InChIInChI=1S/C20H25F3N4/c1-3-17(4-2)26-11-13-27(14-12-26)19-10-9-18(24-25-19)15-5-7-16(8-6-15)20(21,22)23/h5-10,17H,3-4,11-14H2,1-2H3
InChIKeyCAPQGFOQQQUIGG-UHFFFAOYSA-N
XLogP4.47
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pentan-3-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 3-(4-pentan-3-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine (CID 70961370) is 3-(4-pentan-3-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 3-(4-pentan-3-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 3-(4-pentan-3-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine is CCC(CC)N1CCN(c2ccc(-c3ccc(C(F)(F)F)cc3)nn2)CC1.
What is the InChIKey of 3-(4-pentan-3-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is CAPQGFOQQQUIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4/c1-3-17(4-2)26-11-13-27(14-12-26)19-10-9-18(24-25-19)15-5-7-16(8-6-15)20(21,22)23/h5-10,17H,3-4,11-14H2,1-2H3.
What are the key properties of 3-(4-pentan-3-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine?
3-(4-pentan-3-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 378.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pentan-3-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 70961370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).