5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one

C13H12F3N3O — CID 103218535

IUPAC5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
SMILESCNc1cnn(Cc2ccc(C(F)(F)F)cc2)c(=O)c1
InChIInChI=1S/C13H12F3N3O/c1-17-11-6-12(20)19(18-7-11)8-9-2-4-10(5-3-9)13(14,15)16/h2-7,17H,8H2,1H3
InChIKeyOVZZUXIXKZSRSP-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.35
Rot. Bonds3

About 5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one

5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one (PubChem CID 103218535) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
PubChem CID103218535
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
SMILESCNc1cnn(Cc2ccc(C(F)(F)F)cc2)c(=O)c1
InChIInChI=1S/C13H12F3N3O/c1-17-11-6-12(20)19(18-7-11)8-9-2-4-10(5-3-9)13(14,15)16/h2-7,17H,8H2,1H3
InChIKeyOVZZUXIXKZSRSP-UHFFFAOYSA-N
XLogP2.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 114553349
2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218654
2-[(3-bromophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218557
5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 103218930
2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218493
2-ethyl-5-(methylamino)pyridazin-3-one
CID 103218572
2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218479
methyl 5-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate
CID 126837317
2-[(3-chloro-4-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223669
5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 71369722
2-[(3,4-difluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223667
2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218695

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one?
The IUPAC name of 5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one (CID 103218535) is 5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one?
The canonical SMILES for 5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one is CNc1cnn(Cc2ccc(C(F)(F)F)cc2)c(=O)c1.
What is the InChIKey of 5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one?
The InChIKey is OVZZUXIXKZSRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-17-11-6-12(20)19(18-7-11)8-9-2-4-10(5-3-9)13(14,15)16/h2-7,17H,8H2,1H3.
What are the key properties of 5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one?
5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one has a molecular weight of 283.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 103218535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).