1-methyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide

C9H10F3N3O3 — CID 113248480

IUPAC1-methyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(O)C(F)(F)F)ccc1=O
InChIInChI=1S/C9H10F3N3O3/c1-15-7(17)3-2-5(14-15)8(18)13-4-6(16)9(10,11)12/h2-3,6,16H,4H2,1H3,(H,13,18)
InChIKeyRVWMEDNNQUTVAK-UHFFFAOYSA-N
MW265.19 g/mol
LogP-0.57
Rot. Bonds3

About 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide

1-methyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide (PubChem CID 113248480) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
PubChem CID113248480
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Name1-methyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(O)C(F)(F)F)ccc1=O
InChIInChI=1S/C9H10F3N3O3/c1-15-7(17)3-2-5(14-15)8(18)13-4-6(16)9(10,11)12/h2-3,6,16H,4H2,1H3,(H,13,18)
InChIKeyRVWMEDNNQUTVAK-UHFFFAOYSA-N
XLogP-0.57
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide (CID 113248480) is 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide is Cn1nc(C(=O)NCC(O)C(F)(F)F)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide?
The InChIKey is RVWMEDNNQUTVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c1-15-7(17)3-2-5(14-15)8(18)13-4-6(16)9(10,11)12/h2-3,6,16H,4H2,1H3,(H,13,18).
What are the key properties of 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide?
1-methyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide has a molecular weight of 265.19 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 113248480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).