3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride

C12H11ClF3N3O — CID 122715031

IUPAC3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride
SMILESCc1cc(=O)c(N)nn1-c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C12H10F3N3O.ClH/c1-7-5-10(19)11(16)17-18(7)9-4-2-3-8(6-9)12(13,14)15;/h2-6H,1H3,(H2,16,17);1H
InChIKeyJAVOSLLQTTWILQ-UHFFFAOYSA-N
MW305.69 g/mol
LogP2.56
Rot. Bonds1

About 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride

3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride (PubChem CID 122715031) has the molecular formula C12H11ClF3N3O and a molecular weight of 305.69 g/mol. Its IUPAC name is 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride.

Molecular Properties

Compound Name3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride
PubChem CID122715031
Molecular FormulaC12H11ClF3N3O
Molecular Weight305.69 g/mol
Exact Mass305.05
IUPAC Name3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride
SMILESCc1cc(=O)c(N)nn1-c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C12H10F3N3O.ClH/c1-7-5-10(19)11(16)17-18(7)9-4-2-3-8(6-9)12(13,14)15;/h2-6H,1H3,(H2,16,17);1H
InChIKeyJAVOSLLQTTWILQ-UHFFFAOYSA-N
XLogP2.56
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide
CID 167743128
6-methyl-3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 14820825
cyanomethyl 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
CID 7613597
6-methyl-3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 3073149
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride
CID 119412676
N-(1-aminopropan-2-yl)-N,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 119584444
N-(3-hydroxypropyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 78821543
5-amino-2-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-one
CID 141050527
N-(2-fluorophenyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 27825520
N,6-dimethyl-N-[(3-methyldiazirin-3-yl)methyl]-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 167930649
[2-(4-tert-butylphenyl)-2-oxoethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
CID 16579053
N-[(2R)-2-(ethylamino)propyl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
CID 120652808

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride?
The IUPAC name of 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride (CID 122715031) is 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride.
What is the SMILES notation for 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride?
The canonical SMILES for 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride is Cc1cc(=O)c(N)nn1-c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride?
The InChIKey is JAVOSLLQTTWILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O.ClH/c1-7-5-10(19)11(16)17-18(7)9-4-2-3-8(6-9)12(13,14)15;/h2-6H,1H3,(H2,16,17);1H.
What are the key properties of 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride?
3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride has a molecular weight of 305.69 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride is sourced from PubChem (CID 122715031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).