4-(3-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine

C19H18F3N5 — CID 68747503

IUPAC4-(3-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine
SMILESCC1CN(c2nnc(-c3ccc(C(F)(F)F)cc3)c3ccncc23)CCN1
InChIInChI=1S/C19H18F3N5/c1-12-11-27(9-8-24-12)18-16-10-23-7-6-15(16)17(25-26-18)13-2-4-14(5-3-13)19(20,21)22/h2-7,10,12,24H,8-9,11H2,1H3
InChIKeyBMZMIWQLBBEGFW-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.51
Rot. Bonds2

About 4-(3-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine

4-(3-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine (PubChem CID 68747503) has the molecular formula C19H18F3N5 and a molecular weight of 373.38 g/mol. Its IUPAC name is 4-(3-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine.

Molecular Properties

Compound Name4-(3-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine
PubChem CID68747503
Molecular FormulaC19H18F3N5
Molecular Weight373.38 g/mol
Exact Mass373.15
IUPAC Name4-(3-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine
SMILESCC1CN(c2nnc(-c3ccc(C(F)(F)F)cc3)c3ccncc23)CCN1
InChIInChI=1S/C19H18F3N5/c1-12-11-27(9-8-24-12)18-16-10-23-7-6-15(16)17(25-26-18)13-2-4-14(5-3-13)19(20,21)22/h2-7,10,12,24H,8-9,11H2,1H3
InChIKeyBMZMIWQLBBEGFW-UHFFFAOYSA-N
XLogP3.51
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]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

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine?
The IUPAC name of 4-(3-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine (CID 68747503) is 4-(3-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine.
What is the SMILES notation for 4-(3-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine?
The canonical SMILES for 4-(3-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine is CC1CN(c2nnc(-c3ccc(C(F)(F)F)cc3)c3ccncc23)CCN1.
What is the InChIKey of 4-(3-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine?
The InChIKey is BMZMIWQLBBEGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5/c1-12-11-27(9-8-24-12)18-16-10-23-7-6-15(16)17(25-26-18)13-2-4-14(5-3-13)19(20,21)22/h2-7,10,12,24H,8-9,11H2,1H3.
What are the key properties of 4-(3-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine?
4-(3-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine has a molecular weight of 373.38 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine is sourced from PubChem (CID 68747503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).