1-(1-morpholin-4-ylethyl)-5-propan-2-yl-3-thiophen-2-yl-1,2,4-triazin-6-one

C16H22N4O2S — CID 19787814

IUPAC1-(1-morpholin-4-ylethyl)-5-propan-2-yl-3-thiophen-2-yl-1,2,4-triazin-6-one
SMILESCC(C)c1nc(-c2cccs2)nn(C(C)N2CCOCC2)c1=O
InChIInChI=1S/C16H22N4O2S/c1-11(2)14-16(21)20(12(3)19-6-8-22-9-7-19)18-15(17-14)13-5-4-10-23-13/h4-5,10-12H,6-9H2,1-3H3
InChIKeyDONJECIONODDJQ-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.34
Rot. Bonds4

About 1-(1-morpholin-4-ylethyl)-5-propan-2-yl-3-thiophen-2-yl-1,2,4-triazin-6-one

1-(1-morpholin-4-ylethyl)-5-propan-2-yl-3-thiophen-2-yl-1,2,4-triazin-6-one (PubChem CID 19787814) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-(1-morpholin-4-ylethyl)-5-propan-2-yl-3-thiophen-2-yl-1,2,4-triazin-6-one.

Molecular Properties

Compound Name1-(1-morpholin-4-ylethyl)-5-propan-2-yl-3-thiophen-2-yl-1,2,4-triazin-6-one
PubChem CID19787814
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name1-(1-morpholin-4-ylethyl)-5-propan-2-yl-3-thiophen-2-yl-1,2,4-triazin-6-one
SMILESCC(C)c1nc(-c2cccs2)nn(C(C)N2CCOCC2)c1=O
InChIInChI=1S/C16H22N4O2S/c1-11(2)14-16(21)20(12(3)19-6-8-22-9-7-19)18-15(17-14)13-5-4-10-23-13/h4-5,10-12H,6-9H2,1-3H3
InChIKeyDONJECIONODDJQ-UHFFFAOYSA-N
XLogP2.34
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1-morpholin-4-ylethyl)-5-propan-2-yl-3-thiophen-2-yl-1,2,4-triazin-6-one?
The IUPAC name of 1-(1-morpholin-4-ylethyl)-5-propan-2-yl-3-thiophen-2-yl-1,2,4-triazin-6-one (CID 19787814) is 1-(1-morpholin-4-ylethyl)-5-propan-2-yl-3-thiophen-2-yl-1,2,4-triazin-6-one.
What is the SMILES notation for 1-(1-morpholin-4-ylethyl)-5-propan-2-yl-3-thiophen-2-yl-1,2,4-triazin-6-one?
The canonical SMILES for 1-(1-morpholin-4-ylethyl)-5-propan-2-yl-3-thiophen-2-yl-1,2,4-triazin-6-one is CC(C)c1nc(-c2cccs2)nn(C(C)N2CCOCC2)c1=O.
What is the InChIKey of 1-(1-morpholin-4-ylethyl)-5-propan-2-yl-3-thiophen-2-yl-1,2,4-triazin-6-one?
The InChIKey is DONJECIONODDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-11(2)14-16(21)20(12(3)19-6-8-22-9-7-19)18-15(17-14)13-5-4-10-23-13/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 1-(1-morpholin-4-ylethyl)-5-propan-2-yl-3-thiophen-2-yl-1,2,4-triazin-6-one?
1-(1-morpholin-4-ylethyl)-5-propan-2-yl-3-thiophen-2-yl-1,2,4-triazin-6-one has a molecular weight of 334.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-morpholin-4-ylethyl)-5-propan-2-yl-3-thiophen-2-yl-1,2,4-triazin-6-one is sourced from PubChem (CID 19787814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).