6-methyl-1,4-bis(trifluoromethyl)-7,8-dihydro-5H-pyrido[3,4-d]pyridazine

C10H9F6N3 — CID 134914329

IUPAC6-methyl-1,4-bis(trifluoromethyl)-7,8-dihydro-5H-pyrido[3,4-d]pyridazine
SMILESCN1CCc2c(C(F)(F)F)nnc(C(F)(F)F)c2C1
InChIInChI=1S/C10H9F6N3/c1-19-3-2-5-6(4-19)8(10(14,15)16)18-17-7(5)9(11,12)13/h2-4H2,1H3
InChIKeyMFHKANJZRRRYIB-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.50
Rot. Bonds

About 6-methyl-1,4-bis(trifluoromethyl)-7,8-dihydro-5H-pyrido[3,4-d]pyridazine

6-methyl-1,4-bis(trifluoromethyl)-7,8-dihydro-5H-pyrido[3,4-d]pyridazine (PubChem CID 134914329) has the molecular formula C10H9F6N3 and a molecular weight of 285.19 g/mol. Its IUPAC name is 6-methyl-1,4-bis(trifluoromethyl)-7,8-dihydro-5H-pyrido[3,4-d]pyridazine.

Molecular Properties

Compound Name6-methyl-1,4-bis(trifluoromethyl)-7,8-dihydro-5H-pyrido[3,4-d]pyridazine
PubChem CID134914329
Molecular FormulaC10H9F6N3
Molecular Weight285.19 g/mol
Exact Mass285.07
IUPAC Name6-methyl-1,4-bis(trifluoromethyl)-7,8-dihydro-5H-pyrido[3,4-d]pyridazine
SMILESCN1CCc2c(C(F)(F)F)nnc(C(F)(F)F)c2C1
InChIInChI=1S/C10H9F6N3/c1-19-3-2-5-6(4-19)8(10(14,15)16)18-17-7(5)9(11,12)13/h2-4H2,1H3
InChIKeyMFHKANJZRRRYIB-UHFFFAOYSA-N
XLogP2.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-methyl-1,4-bis(trifluoromethyl)-7,8-dihydro-5H-pyrido[3,4-d]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1,4-bis(trifluoromethyl)-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-6-yl]ethanone
CID 134869340
1,4-Bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine
CID 134869364
3,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine
CID 156079490

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4-bis(trifluoromethyl)-7,8-dihydro-5H-pyrido[3,4-d]pyridazine?
The IUPAC name of 6-methyl-1,4-bis(trifluoromethyl)-7,8-dihydro-5H-pyrido[3,4-d]pyridazine (CID 134914329) is 6-methyl-1,4-bis(trifluoromethyl)-7,8-dihydro-5H-pyrido[3,4-d]pyridazine.
What is the SMILES notation for 6-methyl-1,4-bis(trifluoromethyl)-7,8-dihydro-5H-pyrido[3,4-d]pyridazine?
The canonical SMILES for 6-methyl-1,4-bis(trifluoromethyl)-7,8-dihydro-5H-pyrido[3,4-d]pyridazine is CN1CCc2c(C(F)(F)F)nnc(C(F)(F)F)c2C1.
What is the InChIKey of 6-methyl-1,4-bis(trifluoromethyl)-7,8-dihydro-5H-pyrido[3,4-d]pyridazine?
The InChIKey is MFHKANJZRRRYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6N3/c1-19-3-2-5-6(4-19)8(10(14,15)16)18-17-7(5)9(11,12)13/h2-4H2,1H3.
What are the key properties of 6-methyl-1,4-bis(trifluoromethyl)-7,8-dihydro-5H-pyrido[3,4-d]pyridazine?
6-methyl-1,4-bis(trifluoromethyl)-7,8-dihydro-5H-pyrido[3,4-d]pyridazine has a molecular weight of 285.19 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4-bis(trifluoromethyl)-7,8-dihydro-5H-pyrido[3,4-d]pyridazine is sourced from PubChem (CID 134914329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).