[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone

C22H22N4O4 — CID 11742058

IUPAC[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2nnc(C(=O)N3CCOCC3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H22N4O4/c1-28-17-7-3-15(4-8-17)19-20(16-5-9-18(29-2)10-6-16)24-25-21(23-19)22(27)26-11-13-30-14-12-26/h3-10H,11-14H2,1-2H3
InChIKeyRCOOTUFOKPGXQM-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.70
Rot. Bonds5

About [5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone

[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone (PubChem CID 11742058) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is [5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone
PubChem CID11742058
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2nnc(C(=O)N3CCOCC3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H22N4O4/c1-28-17-7-3-15(4-8-17)19-20(16-5-9-18(29-2)10-6-16)24-25-21(23-19)22(27)26-11-13-30-14-12-26/h3-10H,11-14H2,1-2H3
InChIKeyRCOOTUFOKPGXQM-UHFFFAOYSA-N
XLogP2.70
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone (CID 11742058) is [5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone is COc1ccc(-c2nnc(C(=O)N3CCOCC3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of [5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is RCOOTUFOKPGXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-28-17-7-3-15(4-8-17)19-20(16-5-9-18(29-2)10-6-16)24-25-21(23-19)22(27)26-11-13-30-14-12-26/h3-10H,11-14H2,1-2H3.
What are the key properties of [5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone?
[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 406.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 11742058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).