2-[[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]amino]-1-methylcyclobutan-1-ol

C10H11ClF3N3O — CID 164606407

IUPAC2-[[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]amino]-1-methylcyclobutan-1-ol
SMILESCC1(O)CCC1Nc1cc(C(F)(F)F)c(Cl)nn1
InChIInChI=1S/C10H11ClF3N3O/c1-9(18)3-2-6(9)15-7-4-5(10(12,13)14)8(11)17-16-7/h4,6,18H,2-3H2,1H3,(H,15,16)
InChIKeyWQBOHOKSHJIRPD-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.47
Rot. Bonds2

About 2-[[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]amino]-1-methylcyclobutan-1-ol

2-[[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]amino]-1-methylcyclobutan-1-ol (PubChem CID 164606407) has the molecular formula C10H11ClF3N3O and a molecular weight of 281.67 g/mol. Its IUPAC name is 2-[[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]amino]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name2-[[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]amino]-1-methylcyclobutan-1-ol
PubChem CID164606407
Molecular FormulaC10H11ClF3N3O
Molecular Weight281.67 g/mol
Exact Mass281.05
IUPAC Name2-[[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]amino]-1-methylcyclobutan-1-ol
SMILESCC1(O)CCC1Nc1cc(C(F)(F)F)c(Cl)nn1
InChIInChI=1S/C10H11ClF3N3O/c1-9(18)3-2-6(9)15-7-4-5(10(12,13)14)8(11)17-16-7/h4,6,18H,2-3H2,1H3,(H,15,16)
InChIKeyWQBOHOKSHJIRPD-UHFFFAOYSA-N
XLogP2.47
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]amino]-1-methylcyclobutan-1-ol?
The IUPAC name of 2-[[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]amino]-1-methylcyclobutan-1-ol (CID 164606407) is 2-[[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]amino]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 2-[[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]amino]-1-methylcyclobutan-1-ol?
The canonical SMILES for 2-[[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]amino]-1-methylcyclobutan-1-ol is CC1(O)CCC1Nc1cc(C(F)(F)F)c(Cl)nn1.
What is the InChIKey of 2-[[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]amino]-1-methylcyclobutan-1-ol?
The InChIKey is WQBOHOKSHJIRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O/c1-9(18)3-2-6(9)15-7-4-5(10(12,13)14)8(11)17-16-7/h4,6,18H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-[[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]amino]-1-methylcyclobutan-1-ol?
2-[[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]amino]-1-methylcyclobutan-1-ol has a molecular weight of 281.67 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]amino]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 164606407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).