1-methyl-4,7-bis(trifluoromethyl)-2,3-dihydropyrrolo[2,3-d]pyridazine

C9H7F6N3 — CID 134987024

IUPAC1-methyl-4,7-bis(trifluoromethyl)-2,3-dihydropyrrolo[2,3-d]pyridazine
SMILESCN1CCc2c(C(F)(F)F)nnc(C(F)(F)F)c21
InChIInChI=1S/C9H7F6N3/c1-18-3-2-4-5(18)7(9(13,14)15)17-16-6(4)8(10,11)12/h2-3H2,1H3
InChIKeyFDDRCYUKFAONCG-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.51
Rot. Bonds

About 1-methyl-4,7-bis(trifluoromethyl)-2,3-dihydropyrrolo[2,3-d]pyridazine

1-methyl-4,7-bis(trifluoromethyl)-2,3-dihydropyrrolo[2,3-d]pyridazine (PubChem CID 134987024) has the molecular formula C9H7F6N3 and a molecular weight of 271.16 g/mol. Its IUPAC name is 1-methyl-4,7-bis(trifluoromethyl)-2,3-dihydropyrrolo[2,3-d]pyridazine.

Molecular Properties

Compound Name1-methyl-4,7-bis(trifluoromethyl)-2,3-dihydropyrrolo[2,3-d]pyridazine
PubChem CID134987024
Molecular FormulaC9H7F6N3
Molecular Weight271.16 g/mol
Exact Mass271.05
IUPAC Name1-methyl-4,7-bis(trifluoromethyl)-2,3-dihydropyrrolo[2,3-d]pyridazine
SMILESCN1CCc2c(C(F)(F)F)nnc(C(F)(F)F)c21
InChIInChI=1S/C9H7F6N3/c1-18-3-2-4-5(18)7(9(13,14)15)17-16-6(4)8(10,11)12/h2-3H2,1H3
InChIKeyFDDRCYUKFAONCG-UHFFFAOYSA-N
XLogP2.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,7-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine
CID 174263196
1,4,7-Trimethyl-2,3-dihydropyrrolo[2,3-d]pyridazine
CID 174263200
4,7-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine
CID 177071238
4,7-ditert-butyl-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine
CID 178442322
4,7-Ditert-butyl-1-methyl-2,3-dihydropyrrolo[2,3-d]pyridazine
CID 178442354
4-(Azetidin-1-yl)-3-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-c]pyridazine
CID 178522460

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,7-bis(trifluoromethyl)-2,3-dihydropyrrolo[2,3-d]pyridazine?
The IUPAC name of 1-methyl-4,7-bis(trifluoromethyl)-2,3-dihydropyrrolo[2,3-d]pyridazine (CID 134987024) is 1-methyl-4,7-bis(trifluoromethyl)-2,3-dihydropyrrolo[2,3-d]pyridazine.
What is the SMILES notation for 1-methyl-4,7-bis(trifluoromethyl)-2,3-dihydropyrrolo[2,3-d]pyridazine?
The canonical SMILES for 1-methyl-4,7-bis(trifluoromethyl)-2,3-dihydropyrrolo[2,3-d]pyridazine is CN1CCc2c(C(F)(F)F)nnc(C(F)(F)F)c21.
What is the InChIKey of 1-methyl-4,7-bis(trifluoromethyl)-2,3-dihydropyrrolo[2,3-d]pyridazine?
The InChIKey is FDDRCYUKFAONCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6N3/c1-18-3-2-4-5(18)7(9(13,14)15)17-16-6(4)8(10,11)12/h2-3H2,1H3.
What are the key properties of 1-methyl-4,7-bis(trifluoromethyl)-2,3-dihydropyrrolo[2,3-d]pyridazine?
1-methyl-4,7-bis(trifluoromethyl)-2,3-dihydropyrrolo[2,3-d]pyridazine has a molecular weight of 271.16 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,7-bis(trifluoromethyl)-2,3-dihydropyrrolo[2,3-d]pyridazine is sourced from PubChem (CID 134987024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).