methyl 3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate

C14H16N4O3 — CID 134794918

IUPACmethyl 3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
SMILESCOC(=O)N1CCn2c(nnc2-c2ccc(OC)cc2)C1
InChIInChI=1S/C14H16N4O3/c1-20-11-5-3-10(4-6-11)13-16-15-12-9-17(14(19)21-2)7-8-18(12)13/h3-6H,7-9H2,1-2H3
InChIKeyFVSNLYPXCFAYAA-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.54
Rot. Bonds2

About methyl 3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate

methyl 3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate (PubChem CID 134794918) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is methyl 3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
PubChem CID134794918
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Namemethyl 3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
SMILESCOC(=O)N1CCn2c(nnc2-c2ccc(OC)cc2)C1
InChIInChI=1S/C14H16N4O3/c1-20-11-5-3-10(4-6-11)13-16-15-12-9-17(14(19)21-2)7-8-18(12)13/h3-6H,7-9H2,1-2H3
InChIKeyFVSNLYPXCFAYAA-UHFFFAOYSA-N
XLogP1.54
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
The IUPAC name of methyl 3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate (CID 134794918) is methyl 3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate.
What is the SMILES notation for methyl 3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
The canonical SMILES for methyl 3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is COC(=O)N1CCn2c(nnc2-c2ccc(OC)cc2)C1.
What is the InChIKey of methyl 3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
The InChIKey is FVSNLYPXCFAYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-20-11-5-3-10(4-6-11)13-16-15-12-9-17(14(19)21-2)7-8-18(12)13/h3-6H,7-9H2,1-2H3.
What are the key properties of methyl 3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
methyl 3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate has a molecular weight of 288.31 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is sourced from PubChem (CID 134794918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).