2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylbutanamide

C11H14F2N6O — CID 133443835

IUPAC2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylbutanamide
SMILESCC(C)C(Nc1ccc2nnc(C(F)F)n2n1)C(N)=O
InChIInChI=1S/C11H14F2N6O/c1-5(2)8(10(14)20)15-6-3-4-7-16-17-11(9(12)13)19(7)18-6/h3-5,8-9H,1-2H3,(H2,14,20)(H,15,18)
InChIKeyXTMODAJRAZYULP-UHFFFAOYSA-N
MW284.27 g/mol
LogP0.98
Rot. Bonds5

About 2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylbutanamide

2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylbutanamide (PubChem CID 133443835) has the molecular formula C11H14F2N6O and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylbutanamide
PubChem CID133443835
Molecular FormulaC11H14F2N6O
Molecular Weight284.27 g/mol
Exact Mass284.12
IUPAC Name2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylbutanamide
SMILESCC(C)C(Nc1ccc2nnc(C(F)F)n2n1)C(N)=O
InChIInChI=1S/C11H14F2N6O/c1-5(2)8(10(14)20)15-6-3-4-7-16-17-11(9(12)13)19(7)18-6/h3-5,8-9H,1-2H3,(H2,14,20)(H,15,18)
InChIKeyXTMODAJRAZYULP-UHFFFAOYSA-N
XLogP0.98
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylbutanamide?
The IUPAC name of 2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylbutanamide (CID 133443835) is 2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylbutanamide is CC(C)C(Nc1ccc2nnc(C(F)F)n2n1)C(N)=O.
What is the InChIKey of 2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylbutanamide?
The InChIKey is XTMODAJRAZYULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N6O/c1-5(2)8(10(14)20)15-6-3-4-7-16-17-11(9(12)13)19(7)18-6/h3-5,8-9H,1-2H3,(H2,14,20)(H,15,18).
What are the key properties of 2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylbutanamide?
2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylbutanamide has a molecular weight of 284.27 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylbutanamide is sourced from PubChem (CID 133443835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).