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

C16H17F3N4 — CID 71528380

IUPAC3-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine
SMILESCN1CCN(c2ccc(-c3cccc(C(F)(F)F)c3)nn2)CC1
InChIInChI=1S/C16H17F3N4/c1-22-7-9-23(10-8-22)15-6-5-14(20-21-15)12-3-2-4-13(11-12)16(17,18)19/h2-6,11H,7-10H2,1H3
InChIKeySHCJBNSBCOTTNS-UHFFFAOYSA-N
MW322.33 g/mol
LogP2.91
Rot. Bonds2

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

3-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine (PubChem CID 71528380) has the molecular formula C16H17F3N4 and a molecular weight of 322.33 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine
PubChem CID71528380
Molecular FormulaC16H17F3N4
Molecular Weight322.33 g/mol
Exact Mass322.14
IUPAC Name3-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine
SMILESCN1CCN(c2ccc(-c3cccc(C(F)(F)F)c3)nn2)CC1
InChIInChI=1S/C16H17F3N4/c1-22-7-9-23(10-8-22)15-6-5-14(20-21-15)12-3-2-4-13(11-12)16(17,18)19/h2-6,11H,7-10H2,1H3
InChIKeySHCJBNSBCOTTNS-UHFFFAOYSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine (CID 71528380) is 3-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine is CN1CCN(c2ccc(-c3cccc(C(F)(F)F)c3)nn2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is SHCJBNSBCOTTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4/c1-22-7-9-23(10-8-22)15-6-5-14(20-21-15)12-3-2-4-13(11-12)16(17,18)19/h2-6,11H,7-10H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine?
3-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 322.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 71528380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).