6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid

C13H9FN4O3 — CID 165401253

IUPAC6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCOc1cc(F)cc(-c2cn3nc(C(=O)O)nc3cn2)c1
InChIInChI=1S/C13H9FN4O3/c1-21-9-3-7(2-8(14)4-9)10-6-18-11(5-15-10)16-12(17-18)13(19)20/h2-6H,1H3,(H,19,20)
InChIKeyAIEQJOVVGGKOED-UHFFFAOYSA-N
MW288.24 g/mol
LogP1.64
Rot. Bonds3

About 6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid

6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid (PubChem CID 165401253) has the molecular formula C13H9FN4O3 and a molecular weight of 288.24 g/mol. Its IUPAC name is 6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid
PubChem CID165401253
Molecular FormulaC13H9FN4O3
Molecular Weight288.24 g/mol
Exact Mass288.07
IUPAC Name6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCOc1cc(F)cc(-c2cn3nc(C(=O)O)nc3cn2)c1
InChIInChI=1S/C13H9FN4O3/c1-21-9-3-7(2-8(14)4-9)10-6-18-11(5-15-10)16-12(17-18)13(19)20/h2-6H,1H3,(H,19,20)
InChIKeyAIEQJOVVGGKOED-UHFFFAOYSA-N
XLogP1.64
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Lmtk3-IN-1
CID 138454301
Ethyl 6-(4-methylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815681
6-(3-Methoxyphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 620319
2-(3-Methoxyphenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
CID 624478
4-[2-[3-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine
CID 11259074
2-(3-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25144373
2-Furan-2-yl-6-(3-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamine
CID 44403175
N-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 57391268
3-(3,4-Dimethoxy-phenyl)-6-(3-fluorophenyl) imidazo[1,2-b]pyridazine
CID 126673196
7-Oxa-13,18,20,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(19),2(22),3,5,14(21),15,17-heptaene
CID 137062026
2-[6-(3-Phenylmethoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid
CID 154659094
2-[6-(3-Methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid
CID 154659101

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid?
The IUPAC name of 6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid (CID 165401253) is 6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid is COc1cc(F)cc(-c2cn3nc(C(=O)O)nc3cn2)c1.
What is the InChIKey of 6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid?
The InChIKey is AIEQJOVVGGKOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O3/c1-21-9-3-7(2-8(14)4-9)10-6-18-11(5-15-10)16-12(17-18)13(19)20/h2-6H,1H3,(H,19,20).
What are the key properties of 6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid?
6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid has a molecular weight of 288.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 165401253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).