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

C10H13ClF3N3O2 — CID 102698960

IUPAC4-chloro-5-(2-methoxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCOC(C)CNc1cnn(CC(F)(F)F)c(=O)c1Cl
InChIInChI=1S/C10H13ClF3N3O2/c1-6(19-2)3-15-7-4-16-17(5-10(12,13)14)9(18)8(7)11/h4,6,15H,3,5H2,1-2H3
InChIKeyRLKYNVSEHLGNNB-UHFFFAOYSA-N
MW299.68 g/mol
LogP1.91
Rot. Bonds5

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

4-chloro-5-(2-methoxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 102698960) has the molecular formula C10H13ClF3N3O2 and a molecular weight of 299.68 g/mol. Its IUPAC name is 4-chloro-5-(2-methoxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(2-methoxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID102698960
Molecular FormulaC10H13ClF3N3O2
Molecular Weight299.68 g/mol
Exact Mass299.06
IUPAC Name4-chloro-5-(2-methoxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCOC(C)CNc1cnn(CC(F)(F)F)c(=O)c1Cl
InChIInChI=1S/C10H13ClF3N3O2/c1-6(19-2)3-15-7-4-16-17(5-10(12,13)14)9(18)8(7)11/h4,6,15H,3,5H2,1-2H3
InChIKeyRLKYNVSEHLGNNB-UHFFFAOYSA-N
XLogP1.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-2-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridazin-3-one
CID 36250548
4-Bromo-5-(2-methoxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 102699013
4-Chloro-2-(2-methoxyethyl)-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one
CID 102809284
5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyridazin-6-one
CID 103081442
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-Chloro-5-(morpholin-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 103549349
4-Chloro-5-[(3,3-difluoro-2-hydroxypropyl)amino]-2-methylpyridazin-3-one
CID 103731264
4-Chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one
CID 104854507
4-Chloro-2-methyl-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one
CID 104854560
4-Chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 104858548
4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 104922039

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-methoxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(2-methoxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 102698960) is 4-chloro-5-(2-methoxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(2-methoxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(2-methoxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one is COC(C)CNc1cnn(CC(F)(F)F)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(2-methoxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is RLKYNVSEHLGNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O2/c1-6(19-2)3-15-7-4-16-17(5-10(12,13)14)9(18)8(7)11/h4,6,15H,3,5H2,1-2H3.
What are the key properties of 4-chloro-5-(2-methoxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
4-chloro-5-(2-methoxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 299.68 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-methoxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 102698960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).