4-chloro-5-(morpholin-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one

C11H14ClF3N4O2 — CID 103549349

IUPAC4-chloro-5-(morpholin-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(NCC2COCCN2)cnn1CC(F)(F)F
InChIInChI=1S/C11H14ClF3N4O2/c12-9-8(17-3-7-5-21-2-1-16-7)4-18-19(10(9)20)6-11(13,14)15/h4,7,16-17H,1-3,5-6H2
InChIKeyPLHLSZPXOSZOQY-UHFFFAOYSA-N
MW326.71 g/mol
LogP0.86
Rot. Bonds4

About 4-chloro-5-(morpholin-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one

4-chloro-5-(morpholin-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 103549349) has the molecular formula C11H14ClF3N4O2 and a molecular weight of 326.71 g/mol. Its IUPAC name is 4-chloro-5-(morpholin-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(morpholin-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID103549349
Molecular FormulaC11H14ClF3N4O2
Molecular Weight326.71 g/mol
Exact Mass326.08
IUPAC Name4-chloro-5-(morpholin-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(NCC2COCCN2)cnn1CC(F)(F)F
InChIInChI=1S/C11H14ClF3N4O2/c12-9-8(17-3-7-5-21-2-1-16-7)4-18-19(10(9)20)6-11(13,14)15/h4,7,16-17H,1-3,5-6H2
InChIKeyPLHLSZPXOSZOQY-UHFFFAOYSA-N
XLogP0.86
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.71
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Chloro-2-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridazin-3-one
CID 36250548
4-Chloro-5-(2-methoxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 102698960
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-methylpyridazin-3-one
CID 103081449
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 103081526
4-Bromo-5-(morpholin-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 103549098
4-Chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one
CID 104854507
4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 104922039
4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 104975952
4-chloro-5-[(3S)-3-methylpiperazin-1-yl]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 104977398
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 105912970
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 105913020
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-propylpyridazin-3-one
CID 105913105

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(morpholin-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(morpholin-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 103549349) is 4-chloro-5-(morpholin-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(morpholin-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(morpholin-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one is O=c1c(Cl)c(NCC2COCCN2)cnn1CC(F)(F)F.
What is the InChIKey of 4-chloro-5-(morpholin-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is PLHLSZPXOSZOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4O2/c12-9-8(17-3-7-5-21-2-1-16-7)4-18-19(10(9)20)6-11(13,14)15/h4,7,16-17H,1-3,5-6H2.
What are the key properties of 4-chloro-5-(morpholin-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
4-chloro-5-(morpholin-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 326.71 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(morpholin-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 103549349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).