2-(4-aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethoxy)phenol;methylcyclobutane

C19H19F3N4O2 — CID 166456081

IUPAC2-(4-aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethoxy)phenol;methylcyclobutane
SMILESCC1CCC1.Nc1nnc(-c2ccc(OC(F)(F)F)cc2O)c2ccncc12
InChIInChI=1S/C14H9F3N4O2.C5H10/c15-14(16,17)23-7-1-2-9(11(22)5-7)12-8-3-4-19-6-10(8)13(18)21-20-12;1-5-3-2-4-5/h1-6,22H,(H2,18,21);5H,2-4H2,1H3
InChIKeyDRJOPGBSZDXXMJ-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.68
Rot. Bonds2

About 2-(4-aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethoxy)phenol;methylcyclobutane

2-(4-aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethoxy)phenol;methylcyclobutane (PubChem CID 166456081) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-(4-aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethoxy)phenol;methylcyclobutane.

Molecular Properties

Compound Name2-(4-aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethoxy)phenol;methylcyclobutane
PubChem CID166456081
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name2-(4-aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethoxy)phenol;methylcyclobutane
SMILESCC1CCC1.Nc1nnc(-c2ccc(OC(F)(F)F)cc2O)c2ccncc12
InChIInChI=1S/C14H9F3N4O2.C5H10/c15-14(16,17)23-7-1-2-9(11(22)5-7)12-8-3-4-19-6-10(8)13(18)21-20-12;1-5-3-2-4-5/h1-6,22H,(H2,18,21);5H,2-4H2,1H3
InChIKeyDRJOPGBSZDXXMJ-UHFFFAOYSA-N
XLogP4.68
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethoxy)phenol;methylcyclobutane 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

US11970463, Example 56
CID 166456085
US11970463, Example 48
CID 167292695
3-Butoxy-2-(5-methanimidoyl-3-pyridinyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 155429816
3-Hexoxy-2-(5-methanimidoyl-3-pyridinyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 155429970
2-[4-[(2-Methoxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]-5-(trifluoromethoxy)phenol
CID 164754450
2-[4-(3-Methoxy-3-methylbutyl)pyrido[3,4-d]pyridazin-1-yl]-5-(trifluoromethoxy)phenol
CID 165050530
Cyclohexanol;1-[2-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
CID 166456017
1-[2-[(4-Methoxyphenyl)methoxy]-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
CID 166456018
2-(4-Aminopyrido[3,4-d]pyridazin-1-yl)-5-fluorophenol
CID 166456052
2-(4-Aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethyl)phenol;cyclobutanol
CID 166456055
2-(4-Aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethyl)phenol
CID 166456056
2-(1-Aminopyrido[3,4-d]pyridazin-4-yl)-3-fluorophenol
CID 166456061

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethoxy)phenol;methylcyclobutane?
The IUPAC name of 2-(4-aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethoxy)phenol;methylcyclobutane (CID 166456081) is 2-(4-aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethoxy)phenol;methylcyclobutane.
What is the SMILES notation for 2-(4-aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethoxy)phenol;methylcyclobutane?
The canonical SMILES for 2-(4-aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethoxy)phenol;methylcyclobutane is CC1CCC1.Nc1nnc(-c2ccc(OC(F)(F)F)cc2O)c2ccncc12.
What is the InChIKey of 2-(4-aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethoxy)phenol;methylcyclobutane?
The InChIKey is DRJOPGBSZDXXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O2.C5H10/c15-14(16,17)23-7-1-2-9(11(22)5-7)12-8-3-4-19-6-10(8)13(18)21-20-12;1-5-3-2-4-5/h1-6,22H,(H2,18,21);5H,2-4H2,1H3.
What are the key properties of 2-(4-aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethoxy)phenol;methylcyclobutane?
2-(4-aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethoxy)phenol;methylcyclobutane has a molecular weight of 392.38 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethoxy)phenol;methylcyclobutane is sourced from PubChem (CID 166456081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).