2-[(5,6-dimethylpyridazin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H13F3N4O — CID 133490030

IUPAC2-[(5,6-dimethylpyridazin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(NCC(=O)NCC(F)(F)F)nnc1C
InChIInChI=1S/C10H13F3N4O/c1-6-3-8(17-16-7(6)2)14-4-9(18)15-5-10(11,12)13/h3H,4-5H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyLXCVOQMLEDYLHE-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.18
Rot. Bonds4

About 2-[(5,6-dimethylpyridazin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(5,6-dimethylpyridazin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 133490030) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[(5,6-dimethylpyridazin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(5,6-dimethylpyridazin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID133490030
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name2-[(5,6-dimethylpyridazin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(NCC(=O)NCC(F)(F)F)nnc1C
InChIInChI=1S/C10H13F3N4O/c1-6-3-8(17-16-7(6)2)14-4-9(18)15-5-10(11,12)13/h3H,4-5H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyLXCVOQMLEDYLHE-UHFFFAOYSA-N
XLogP1.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethylpyridazin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(5,6-dimethylpyridazin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 133490030) is 2-[(5,6-dimethylpyridazin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(5,6-dimethylpyridazin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(5,6-dimethylpyridazin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc(NCC(=O)NCC(F)(F)F)nnc1C.
What is the InChIKey of 2-[(5,6-dimethylpyridazin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LXCVOQMLEDYLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-6-3-8(17-16-7(6)2)14-4-9(18)15-5-10(11,12)13/h3H,4-5H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 2-[(5,6-dimethylpyridazin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(5,6-dimethylpyridazin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 262.23 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethylpyridazin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 133490030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).