3-(3-aminoanilino)-5-(3-amino-2-fluorophenyl)-1-methylpyrazin-2-one

C17H16FN5O — CID 143293186

IUPAC3-(3-aminoanilino)-5-(3-amino-2-fluorophenyl)-1-methylpyrazin-2-one
SMILESCn1cc(-c2cccc(N)c2F)nc(Nc2cccc(N)c2)c1=O
InChIInChI=1S/C17H16FN5O/c1-23-9-14(12-6-3-7-13(20)15(12)18)22-16(17(23)24)21-11-5-2-4-10(19)8-11/h2-9H,19-20H2,1H3,(H,21,22)
InChIKeyMIEPTMMNQLTFNY-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.49
Rot. Bonds3

About 3-(3-aminoanilino)-5-(3-amino-2-fluorophenyl)-1-methylpyrazin-2-one

3-(3-aminoanilino)-5-(3-amino-2-fluorophenyl)-1-methylpyrazin-2-one (PubChem CID 143293186) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 3-(3-aminoanilino)-5-(3-amino-2-fluorophenyl)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(3-aminoanilino)-5-(3-amino-2-fluorophenyl)-1-methylpyrazin-2-one
PubChem CID143293186
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name3-(3-aminoanilino)-5-(3-amino-2-fluorophenyl)-1-methylpyrazin-2-one
SMILESCn1cc(-c2cccc(N)c2F)nc(Nc2cccc(N)c2)c1=O
InChIInChI=1S/C17H16FN5O/c1-23-9-14(12-6-3-7-13(20)15(12)18)22-16(17(23)24)21-11-5-2-4-10(19)8-11/h2-9H,19-20H2,1H3,(H,21,22)
InChIKeyMIEPTMMNQLTFNY-UHFFFAOYSA-N
XLogP2.49
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 20802993
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 8704110
1-(3,5-Dimethylphenyl)-3-{[(4-fluorophenyl)methyl]amino}-1,2-dihydropyrazin-2-one
CID 16025759
2-[N-(2-Fluorophenyl)-1-{4-methyl-2-oxo-3H-pyrido[1,2-A]pyrimidin-4-YL}formamido]-N-[(4-methylphenyl)methyl]acetamide
CID 24792400
2-[N-(4-Fluorophenyl)-1-{4-methyl-2-oxo-3H-pyrido[1,2-A]pyrimidin-4-YL}formamido]-N-[(4-methylphenyl)methyl]acetamide
CID 24792522
N-[3-(dimethylamino)propyl]-1H-perimidine-2-carboxamide
CID 44305760
N-[3-(aminomethyl)phenyl]-2-[5-[(2-aminophenyl)methylamino]-3-chloro-2-methyl-6-oxopyrazin-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 44394185
N-(3-Aminomethyl-phenyl)-2-{5-chloro-6-methyl-2-oxo-3-[(piperidin-3-ylmethyl)-amino]-2H-pyrazin-1-yl}-acetamide
CID 44394199
8-(dipropylamino)-3-(2,4,6-trimethylanilino)-1H-quinoxalin-2-one
CID 70692631
8-(Dipropylamino)-1-methyl-3-(2,4,6-trimethylanilino)quinoxalin-2-one
CID 70692632
1-(3,4-Dimethylphenyl)-3-[(2-phenylethyl)amino]-1,2-dihydropyrazin-2-one
CID 16034495

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoanilino)-5-(3-amino-2-fluorophenyl)-1-methylpyrazin-2-one?
The IUPAC name of 3-(3-aminoanilino)-5-(3-amino-2-fluorophenyl)-1-methylpyrazin-2-one (CID 143293186) is 3-(3-aminoanilino)-5-(3-amino-2-fluorophenyl)-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(3-aminoanilino)-5-(3-amino-2-fluorophenyl)-1-methylpyrazin-2-one?
The canonical SMILES for 3-(3-aminoanilino)-5-(3-amino-2-fluorophenyl)-1-methylpyrazin-2-one is Cn1cc(-c2cccc(N)c2F)nc(Nc2cccc(N)c2)c1=O.
What is the InChIKey of 3-(3-aminoanilino)-5-(3-amino-2-fluorophenyl)-1-methylpyrazin-2-one?
The InChIKey is MIEPTMMNQLTFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-23-9-14(12-6-3-7-13(20)15(12)18)22-16(17(23)24)21-11-5-2-4-10(19)8-11/h2-9H,19-20H2,1H3,(H,21,22).
What are the key properties of 3-(3-aminoanilino)-5-(3-amino-2-fluorophenyl)-1-methylpyrazin-2-one?
3-(3-aminoanilino)-5-(3-amino-2-fluorophenyl)-1-methylpyrazin-2-one has a molecular weight of 325.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoanilino)-5-(3-amino-2-fluorophenyl)-1-methylpyrazin-2-one is sourced from PubChem (CID 143293186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).