5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)-2-methoxy-4-methylbenzoic acid

C15H16N4O4 — CID 154872072

IUPAC5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)-2-methoxy-4-methylbenzoic acid
SMILESCOc1cc(C)c(C(=O)N2CCn3ncnc3C2)cc1C(=O)O
InChIInChI=1S/C15H16N4O4/c1-9-5-12(23-2)11(15(21)22)6-10(9)14(20)18-3-4-19-13(7-18)16-8-17-19/h5-6,8H,3-4,7H2,1-2H3,(H,21,22)
InChIKeyFNPFUPOARZGXEZ-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.95
Rot. Bonds3

About 5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)-2-methoxy-4-methylbenzoic acid

5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)-2-methoxy-4-methylbenzoic acid (PubChem CID 154872072) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)-2-methoxy-4-methylbenzoic acid.

Molecular Properties

Compound Name5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)-2-methoxy-4-methylbenzoic acid
PubChem CID154872072
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)-2-methoxy-4-methylbenzoic acid
SMILESCOc1cc(C)c(C(=O)N2CCn3ncnc3C2)cc1C(=O)O
InChIInChI=1S/C15H16N4O4/c1-9-5-12(23-2)11(15(21)22)6-10(9)14(20)18-3-4-19-13(7-18)16-8-17-19/h5-6,8H,3-4,7H2,1-2H3,(H,21,22)
InChIKeyFNPFUPOARZGXEZ-UHFFFAOYSA-N
XLogP0.95
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)-2-methoxy-4-methylbenzoic acid with MolForge

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Related Compounds

N-(3-methoxy-6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide
CID 127901681
[4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803086
(4,5-dichloro-2-methoxyphenyl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone
CID 136512763
1-[4-(4,5-dimethoxy-2-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805556
(4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone
CID 82131195
[4-(2,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 110802050
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2,3-dimethoxyphenyl)methanone
CID 53193587
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,4-dimethoxyphenyl)methanone
CID 110712619
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(2-methoxyphenyl)methanone
CID 110712610
(3-bromo-4-methoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 63025771
[4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 110814060
(5-chloro-4-methoxy-2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110762112

Frequently Asked Questions

What is the IUPAC name of 5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)-2-methoxy-4-methylbenzoic acid?
The IUPAC name of 5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)-2-methoxy-4-methylbenzoic acid (CID 154872072) is 5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)-2-methoxy-4-methylbenzoic acid.
What is the SMILES notation for 5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)-2-methoxy-4-methylbenzoic acid?
The canonical SMILES for 5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)-2-methoxy-4-methylbenzoic acid is COc1cc(C)c(C(=O)N2CCn3ncnc3C2)cc1C(=O)O.
What is the InChIKey of 5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)-2-methoxy-4-methylbenzoic acid?
The InChIKey is FNPFUPOARZGXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-9-5-12(23-2)11(15(21)22)6-10(9)14(20)18-3-4-19-13(7-18)16-8-17-19/h5-6,8H,3-4,7H2,1-2H3,(H,21,22).
What are the key properties of 5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)-2-methoxy-4-methylbenzoic acid?
5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)-2-methoxy-4-methylbenzoic acid has a molecular weight of 316.32 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)-2-methoxy-4-methylbenzoic acid is sourced from PubChem (CID 154872072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).