4,4,4-trifluoro-N-(3-methylpyridazin-4-yl)butanamide

C9H10F3N3O — CID 136530438

IUPAC4,4,4-trifluoro-N-(3-methylpyridazin-4-yl)butanamide
SMILESCc1nnccc1NC(=O)CCC(F)(F)F
InChIInChI=1S/C9H10F3N3O/c1-6-7(3-5-13-15-6)14-8(16)2-4-9(10,11)12/h3,5H,2,4H2,1H3,(H,13,14,16)
InChIKeyDAYUTOPBACNRNB-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.07
Rot. Bonds3

About 4,4,4-trifluoro-N-(3-methylpyridazin-4-yl)butanamide

4,4,4-trifluoro-N-(3-methylpyridazin-4-yl)butanamide (PubChem CID 136530438) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(3-methylpyridazin-4-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(3-methylpyridazin-4-yl)butanamide
PubChem CID136530438
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name4,4,4-trifluoro-N-(3-methylpyridazin-4-yl)butanamide
SMILESCc1nnccc1NC(=O)CCC(F)(F)F
InChIInChI=1S/C9H10F3N3O/c1-6-7(3-5-13-15-6)14-8(16)2-4-9(10,11)12/h3,5H,2,4H2,1H3,(H,13,14,16)
InChIKeyDAYUTOPBACNRNB-UHFFFAOYSA-N
XLogP2.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(3-methylpyridazin-4-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(3-methylpyridazin-4-yl)butanamide (CID 136530438) is 4,4,4-trifluoro-N-(3-methylpyridazin-4-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(3-methylpyridazin-4-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(3-methylpyridazin-4-yl)butanamide is Cc1nnccc1NC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(3-methylpyridazin-4-yl)butanamide?
The InChIKey is DAYUTOPBACNRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-6-7(3-5-13-15-6)14-8(16)2-4-9(10,11)12/h3,5H,2,4H2,1H3,(H,13,14,16).
What are the key properties of 4,4,4-trifluoro-N-(3-methylpyridazin-4-yl)butanamide?
4,4,4-trifluoro-N-(3-methylpyridazin-4-yl)butanamide has a molecular weight of 233.19 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(3-methylpyridazin-4-yl)butanamide is sourced from PubChem (CID 136530438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).