2-methyl-5-[5-(trifluoromethyl)pyridazin-3-yl]-2,5-diazabicyclo[2.2.0]hexane

C10H11F3N4 — CID 123329305

IUPAC2-methyl-5-[5-(trifluoromethyl)pyridazin-3-yl]-2,5-diazabicyclo[2.2.0]hexane
SMILESCN1CC2C1CN2c1cc(C(F)(F)F)cnn1
InChIInChI=1S/C10H11F3N4/c1-16-4-8-7(16)5-17(8)9-2-6(3-14-15-9)10(11,12)13/h2-3,7-8H,4-5H2,1H3
InChIKeyOPZRHRRWGFNUSD-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.00
Rot. Bonds1

About 2-methyl-5-[5-(trifluoromethyl)pyridazin-3-yl]-2,5-diazabicyclo[2.2.0]hexane

2-methyl-5-[5-(trifluoromethyl)pyridazin-3-yl]-2,5-diazabicyclo[2.2.0]hexane (PubChem CID 123329305) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-methyl-5-[5-(trifluoromethyl)pyridazin-3-yl]-2,5-diazabicyclo[2.2.0]hexane.

Molecular Properties

Compound Name2-methyl-5-[5-(trifluoromethyl)pyridazin-3-yl]-2,5-diazabicyclo[2.2.0]hexane
PubChem CID123329305
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name2-methyl-5-[5-(trifluoromethyl)pyridazin-3-yl]-2,5-diazabicyclo[2.2.0]hexane
SMILESCN1CC2C1CN2c1cc(C(F)(F)F)cnn1
InChIInChI=1S/C10H11F3N4/c1-16-4-8-7(16)5-17(8)9-2-6(3-14-15-9)10(11,12)13/h2-3,7-8H,4-5H2,1H3
InChIKeyOPZRHRRWGFNUSD-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-(trifluoromethyl)pyridazin-3-yl]-2,5-diazabicyclo[2.2.0]hexane?
The IUPAC name of 2-methyl-5-[5-(trifluoromethyl)pyridazin-3-yl]-2,5-diazabicyclo[2.2.0]hexane (CID 123329305) is 2-methyl-5-[5-(trifluoromethyl)pyridazin-3-yl]-2,5-diazabicyclo[2.2.0]hexane.
What is the SMILES notation for 2-methyl-5-[5-(trifluoromethyl)pyridazin-3-yl]-2,5-diazabicyclo[2.2.0]hexane?
The canonical SMILES for 2-methyl-5-[5-(trifluoromethyl)pyridazin-3-yl]-2,5-diazabicyclo[2.2.0]hexane is CN1CC2C1CN2c1cc(C(F)(F)F)cnn1.
What is the InChIKey of 2-methyl-5-[5-(trifluoromethyl)pyridazin-3-yl]-2,5-diazabicyclo[2.2.0]hexane?
The InChIKey is OPZRHRRWGFNUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c1-16-4-8-7(16)5-17(8)9-2-6(3-14-15-9)10(11,12)13/h2-3,7-8H,4-5H2,1H3.
What are the key properties of 2-methyl-5-[5-(trifluoromethyl)pyridazin-3-yl]-2,5-diazabicyclo[2.2.0]hexane?
2-methyl-5-[5-(trifluoromethyl)pyridazin-3-yl]-2,5-diazabicyclo[2.2.0]hexane has a molecular weight of 244.22 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-(trifluoromethyl)pyridazin-3-yl]-2,5-diazabicyclo[2.2.0]hexane is sourced from PubChem (CID 123329305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).