3,3,3-trifluoro-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide

C14H19F3N4O3 — CID 95709508

IUPAC3,3,3-trifluoro-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
SMILESCn1ncc(N2CCO[C@H](CCNC(=O)CC(F)(F)F)C2)cc1=O
InChIInChI=1S/C14H19F3N4O3/c1-20-13(23)6-10(8-19-20)21-4-5-24-11(9-21)2-3-18-12(22)7-14(15,16)17/h6,8,11H,2-5,7,9H2,1H3,(H,18,22)/t11-/m1/s1
InChIKeyIZNKKIRKVZPARU-LLVKDONJSA-N
MW348.33 g/mol
LogP0.44
Rot. Bonds5

About 3,3,3-trifluoro-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide

3,3,3-trifluoro-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide (PubChem CID 95709508) has the molecular formula C14H19F3N4O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
PubChem CID95709508
Molecular FormulaC14H19F3N4O3
Molecular Weight348.33 g/mol
Exact Mass348.14
IUPAC Name3,3,3-trifluoro-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
SMILESCn1ncc(N2CCO[C@H](CCNC(=O)CC(F)(F)F)C2)cc1=O
InChIInChI=1S/C14H19F3N4O3/c1-20-13(23)6-10(8-19-20)21-4-5-24-11(9-21)2-3-18-12(22)7-14(15,16)17/h6,8,11H,2-5,7,9H2,1H3,(H,18,22)/t11-/m1/s1
InChIKeyIZNKKIRKVZPARU-LLVKDONJSA-N
XLogP0.44
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide (CID 95709508) is 3,3,3-trifluoro-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide is Cn1ncc(N2CCO[C@H](CCNC(=O)CC(F)(F)F)C2)cc1=O.
What is the InChIKey of 3,3,3-trifluoro-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide?
The InChIKey is IZNKKIRKVZPARU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19F3N4O3/c1-20-13(23)6-10(8-19-20)21-4-5-24-11(9-21)2-3-18-12(22)7-14(15,16)17/h6,8,11H,2-5,7,9H2,1H3,(H,18,22)/t11-/m1/s1.
What are the key properties of 3,3,3-trifluoro-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide?
3,3,3-trifluoro-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide has a molecular weight of 348.33 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide is sourced from PubChem (CID 95709508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).