2-(4-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C23H22N4O2 — CID 134788448

IUPAC2-(4-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(-n2nc3n(c2=O)CCN(Cc2cccc4ccccc24)C3)cc1
InChIInChI=1S/C23H22N4O2/c1-29-20-11-9-19(10-12-20)27-23(28)26-14-13-25(16-22(26)24-27)15-18-7-4-6-17-5-2-3-8-21(17)18/h2-12H,13-16H2,1H3
InChIKeyHDHOLSVJUFNQQH-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.21
Rot. Bonds4

About 2-(4-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(4-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134788448) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID134788448
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-(4-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(-n2nc3n(c2=O)CCN(Cc2cccc4ccccc24)C3)cc1
InChIInChI=1S/C23H22N4O2/c1-29-20-11-9-19(10-12-20)27-23(28)26-14-13-25(16-22(26)24-27)15-18-7-4-6-17-5-2-3-8-21(17)18/h2-12H,13-16H2,1H3
InChIKeyHDHOLSVJUFNQQH-UHFFFAOYSA-N
XLogP3.21
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(4-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134788448) is 2-(4-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(4-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COc1ccc(-n2nc3n(c2=O)CCN(Cc2cccc4ccccc24)C3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is HDHOLSVJUFNQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-29-20-11-9-19(10-12-20)27-23(28)26-14-13-25(16-22(26)24-27)15-18-7-4-6-17-5-2-3-8-21(17)18/h2-12H,13-16H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(4-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 386.46 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134788448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).