[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-3-ylmethanone

C18H23N5O2 — CID 53193516

IUPAC[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-3-ylmethanone
SMILESCOc1ccc(-c2nnc3n2CCN(C(=O)C2CCCNC2)C3)cc1
InChIInChI=1S/C18H23N5O2/c1-25-15-6-4-13(5-7-15)17-21-20-16-12-22(9-10-23(16)17)18(24)14-3-2-8-19-11-14/h4-7,14,19H,2-3,8-12H2,1H3
InChIKeyFZUWCFPJUXNKQA-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.30
Rot. Bonds3

About [3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-3-ylmethanone

[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-3-ylmethanone (PubChem CID 53193516) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-3-ylmethanone
PubChem CID53193516
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-3-ylmethanone
SMILESCOc1ccc(-c2nnc3n2CCN(C(=O)C2CCCNC2)C3)cc1
InChIInChI=1S/C18H23N5O2/c1-25-15-6-4-13(5-7-15)17-21-20-16-12-22(9-10-23(16)17)18(24)14-3-2-8-19-11-14/h4-7,14,19H,2-3,8-12H2,1H3
InChIKeyFZUWCFPJUXNKQA-UHFFFAOYSA-N
XLogP1.30
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-3-ylmethanone?
The IUPAC name of [3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-3-ylmethanone (CID 53193516) is [3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-3-ylmethanone is COc1ccc(-c2nnc3n2CCN(C(=O)C2CCCNC2)C3)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-3-ylmethanone?
The InChIKey is FZUWCFPJUXNKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-25-15-6-4-13(5-7-15)17-21-20-16-12-22(9-10-23(16)17)18(24)14-3-2-8-19-11-14/h4-7,14,19H,2-3,8-12H2,1H3.
What are the key properties of [3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-3-ylmethanone?
[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-3-ylmethanone has a molecular weight of 341.41 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-3-ylmethanone is sourced from PubChem (CID 53193516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).