6,7-dimethyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridazine

C8H7F3N4 — CID 91869898

IUPAC6,7-dimethyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridazine
SMILESCc1nnc2c(C(F)(F)F)[nH]nc2c1C
InChIInChI=1S/C8H7F3N4/c1-3-4(2)12-14-6-5(3)13-15-7(6)8(9,10)11/h1-2H3,(H,13,15)
InChIKeyLFDMEKOZQCVYAO-UHFFFAOYSA-N
MW216.17 g/mol
LogP1.99
Rot. Bonds

About 6,7-dimethyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridazine

6,7-dimethyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridazine (PubChem CID 91869898) has the molecular formula C8H7F3N4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 6,7-dimethyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridazine.

Molecular Properties

Compound Name6,7-dimethyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridazine
PubChem CID91869898
Molecular FormulaC8H7F3N4
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name6,7-dimethyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridazine
SMILESCc1nnc2c(C(F)(F)F)[nH]nc2c1C
InChIInChI=1S/C8H7F3N4/c1-3-4(2)12-14-6-5(3)13-15-7(6)8(9,10)11/h1-2H3,(H,13,15)
InChIKeyLFDMEKOZQCVYAO-UHFFFAOYSA-N
XLogP1.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridazine?
The IUPAC name of 6,7-dimethyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridazine (CID 91869898) is 6,7-dimethyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridazine.
What is the SMILES notation for 6,7-dimethyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridazine?
The canonical SMILES for 6,7-dimethyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridazine is Cc1nnc2c(C(F)(F)F)[nH]nc2c1C.
What is the InChIKey of 6,7-dimethyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridazine?
The InChIKey is LFDMEKOZQCVYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4/c1-3-4(2)12-14-6-5(3)13-15-7(6)8(9,10)11/h1-2H3,(H,13,15).
What are the key properties of 6,7-dimethyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridazine?
6,7-dimethyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridazine has a molecular weight of 216.17 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridazine is sourced from PubChem (CID 91869898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).