3-(3,4-dimethylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine

C11H15F3N4 — CID 70812916

IUPAC3-(3,4-dimethylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
SMILESCC1CN(c2cc(C(F)(F)F)cnn2)CCN1C
InChIInChI=1S/C11H15F3N4/c1-8-7-18(4-3-17(8)2)10-5-9(6-15-16-10)11(12,13)14/h5-6,8H,3-4,7H2,1-2H3
InChIKeyADUBAUOFJJNRLP-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.64
Rot. Bonds1

About 3-(3,4-dimethylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine

3-(3,4-dimethylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine (PubChem CID 70812916) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-(3,4-dimethylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-(3,4-dimethylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
PubChem CID70812916
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name3-(3,4-dimethylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
SMILESCC1CN(c2cc(C(F)(F)F)cnn2)CCN1C
InChIInChI=1S/C11H15F3N4/c1-8-7-18(4-3-17(8)2)10-5-9(6-15-16-10)11(12,13)14/h5-6,8H,3-4,7H2,1-2H3
InChIKeyADUBAUOFJJNRLP-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine?
The IUPAC name of 3-(3,4-dimethylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine (CID 70812916) is 3-(3,4-dimethylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-(3,4-dimethylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-(3,4-dimethylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine is CC1CN(c2cc(C(F)(F)F)cnn2)CCN1C.
What is the InChIKey of 3-(3,4-dimethylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine?
The InChIKey is ADUBAUOFJJNRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-8-7-18(4-3-17(8)2)10-5-9(6-15-16-10)11(12,13)14/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 3-(3,4-dimethylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine?
3-(3,4-dimethylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine has a molecular weight of 260.26 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine is sourced from PubChem (CID 70812916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).