3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine

C10H13F3N4 — CID 70812437

IUPAC3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
SMILESCN1CCN(c2cc(C(F)(F)F)cnn2)CC1
InChIInChI=1S/C10H13F3N4/c1-16-2-4-17(5-3-16)9-6-8(7-14-15-9)10(11,12)13/h6-7H,2-5H2,1H3
InChIKeyOZRDHCYMZAGSII-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.25
Rot. Bonds1

About 3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine

3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine (PubChem CID 70812437) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
PubChem CID70812437
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
SMILESCN1CCN(c2cc(C(F)(F)F)cnn2)CC1
InChIInChI=1S/C10H13F3N4/c1-16-2-4-17(5-3-16)9-6-8(7-14-15-9)10(11,12)13/h6-7H,2-5H2,1H3
InChIKeyOZRDHCYMZAGSII-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.25
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)-5-(trifluoromethyl)pyridazine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine (CID 70812437) is 3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine is CN1CCN(c2cc(C(F)(F)F)cnn2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine?
The InChIKey is OZRDHCYMZAGSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c1-16-2-4-17(5-3-16)9-6-8(7-14-15-9)10(11,12)13/h6-7H,2-5H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine?
3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine has a molecular weight of 246.24 g/mol, XLogP of 1.25, 1 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)-5-(trifluoromethyl)pyridazine is sourced from PubChem (CID 70812437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).