6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-methylphenyl)pyridazin-3-one;2,2,2-trifluoroacetic acid

C21H18F3N7O3 — CID 137488723

IUPAC6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-methylphenyl)pyridazin-3-one;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1-n1nc(-c2nc(-c3cnn(C)c3)cnc2N)ccc1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C19H17N7O.C2HF3O2/c1-12-5-3-4-6-16(12)26-17(27)8-7-14(24-26)18-19(20)21-10-15(23-18)13-9-22-25(2)11-13;3-2(4,5)1(6)7/h3-11H,1-2H3,(H2,20,21);(H,6,7)
InChIKeyOQXKQDVVQUGBDY-UHFFFAOYSA-N
MW473.42 g/mol
LogP2.61
Rot. Bonds3

About 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-methylphenyl)pyridazin-3-one;2,2,2-trifluoroacetic acid

6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-methylphenyl)pyridazin-3-one;2,2,2-trifluoroacetic acid (PubChem CID 137488723) has the molecular formula C21H18F3N7O3 and a molecular weight of 473.42 g/mol. Its IUPAC name is 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-methylphenyl)pyridazin-3-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-methylphenyl)pyridazin-3-one;2,2,2-trifluoroacetic acid
PubChem CID137488723
Molecular FormulaC21H18F3N7O3
Molecular Weight473.42 g/mol
Exact Mass473.14
IUPAC Name6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-methylphenyl)pyridazin-3-one;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1-n1nc(-c2nc(-c3cnn(C)c3)cnc2N)ccc1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C19H17N7O.C2HF3O2/c1-12-5-3-4-6-16(12)26-17(27)8-7-14(24-26)18-19(20)21-10-15(23-18)13-9-22-25(2)11-13;3-2(4,5)1(6)7/h3-11H,1-2H3,(H2,20,21);(H,6,7)
InChIKeyOQXKQDVVQUGBDY-UHFFFAOYSA-N
XLogP2.61
TPSA141.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one
CID 129066718
6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-cyclopropyl-2-(3,5-dimethoxyphenyl)pyridazin-3-one
CID 129066719
3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine
CID 71040961
3-[1-methyl-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
CID 178027743
6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one
CID 129066816
5-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)pyrazine-2-carbonyl chloride
CID 163253537
3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
CID 144824181
1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole
CID 134846974
4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 118045672
4-methyl-2-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 166221947
2-(2-fluorophenyl)-6-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one
CID 118468171
6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-3-one
CID 129057346

Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-methylphenyl)pyridazin-3-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-methylphenyl)pyridazin-3-one;2,2,2-trifluoroacetic acid (CID 137488723) is 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-methylphenyl)pyridazin-3-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-methylphenyl)pyridazin-3-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-methylphenyl)pyridazin-3-one;2,2,2-trifluoroacetic acid is Cc1ccccc1-n1nc(-c2nc(-c3cnn(C)c3)cnc2N)ccc1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-methylphenyl)pyridazin-3-one;2,2,2-trifluoroacetic acid?
The InChIKey is OQXKQDVVQUGBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O.C2HF3O2/c1-12-5-3-4-6-16(12)26-17(27)8-7-14(24-26)18-19(20)21-10-15(23-18)13-9-22-25(2)11-13;3-2(4,5)1(6)7/h3-11H,1-2H3,(H2,20,21);(H,6,7).
What are the key properties of 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-methylphenyl)pyridazin-3-one;2,2,2-trifluoroacetic acid?
6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-methylphenyl)pyridazin-3-one;2,2,2-trifluoroacetic acid has a molecular weight of 473.42 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-methylphenyl)pyridazin-3-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 137488723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).