2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethoxy)phenol

C17H18F3N3O3 — CID 155284783

IUPAC2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethoxy)phenol
SMILESCc1cc(NC2CC(C)(O)C2)nnc1-c1ccc(OC(F)(F)F)cc1O
InChIInChI=1S/C17H18F3N3O3/c1-9-5-14(21-10-7-16(2,25)8-10)22-23-15(9)12-4-3-11(6-13(12)24)26-17(18,19)20/h3-6,10,24-25H,7-8H2,1-2H3,(H,21,22)
InChIKeyQGXRDDLMEXEBRP-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.38
Rot. Bonds4

About 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethoxy)phenol

2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethoxy)phenol (PubChem CID 155284783) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethoxy)phenol
PubChem CID155284783
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethoxy)phenol
SMILESCc1cc(NC2CC(C)(O)C2)nnc1-c1ccc(OC(F)(F)F)cc1O
InChIInChI=1S/C17H18F3N3O3/c1-9-5-14(21-10-7-16(2,25)8-10)22-23-15(9)12-4-3-11(6-13(12)24)26-17(18,19)20/h3-6,10,24-25H,7-8H2,1-2H3,(H,21,22)
InChIKeyQGXRDDLMEXEBRP-UHFFFAOYSA-N
XLogP3.38
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethoxy)phenol?
The IUPAC name of 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethoxy)phenol (CID 155284783) is 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethoxy)phenol?
The canonical SMILES for 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethoxy)phenol is Cc1cc(NC2CC(C)(O)C2)nnc1-c1ccc(OC(F)(F)F)cc1O.
What is the InChIKey of 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethoxy)phenol?
The InChIKey is QGXRDDLMEXEBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-9-5-14(21-10-7-16(2,25)8-10)22-23-15(9)12-4-3-11(6-13(12)24)26-17(18,19)20/h3-6,10,24-25H,7-8H2,1-2H3,(H,21,22).
What are the key properties of 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethoxy)phenol?
2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethoxy)phenol has a molecular weight of 369.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethoxy)phenol is sourced from PubChem (CID 155284783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).