3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one

C13H17N5O2S — CID 136779611

IUPAC3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(NCCN2CCOCC2)nnc1-c1cccs1
InChIInChI=1S/C13H17N5O2S/c19-12-11(10-2-1-9-21-10)16-17-13(15-12)14-3-4-18-5-7-20-8-6-18/h1-2,9H,3-8H2,(H2,14,15,17,19)
InChIKeyHDLXMILOPIRYOZ-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.64
Rot. Bonds5

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

3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one (PubChem CID 136779611) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
PubChem CID136779611
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(NCCN2CCOCC2)nnc1-c1cccs1
InChIInChI=1S/C13H17N5O2S/c19-12-11(10-2-1-9-21-10)16-17-13(15-12)14-3-4-18-5-7-20-8-6-18/h1-2,9H,3-8H2,(H2,14,15,17,19)
InChIKeyHDLXMILOPIRYOZ-UHFFFAOYSA-N
XLogP0.64
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one with MolForge

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Related Compounds

3-(3-morpholin-4-ylpropylamino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136779677
6-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-4H-1,2,4-triazin-5-one
CID 135634761
3-hydrazinyl-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 135843306
2-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 136779605
N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 92571387
N-(2-morpholin-4-ylethyl)-8-thiophen-2-yl-7H-purin-6-amine
CID 117090345
4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 1244710
3-(4-phenoxyanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 136779061
4-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 5267411
N-(2-morpholin-4-ylethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2327183
4-(2-morpholin-4-ylethylamino)-N-(3-oxo-7-thiophen-2-yl-1,2-dihydroinden-4-yl)benzamide
CID 161302701
1-benzyl-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 17474823

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one (CID 136779611) is 3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one is O=c1[nH]c(NCCN2CCOCC2)nnc1-c1cccs1.
What is the InChIKey of 3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one?
The InChIKey is HDLXMILOPIRYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c19-12-11(10-2-1-9-21-10)16-17-13(15-12)14-3-4-18-5-7-20-8-6-18/h1-2,9H,3-8H2,(H2,14,15,17,19).
What are the key properties of 3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one?
3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one has a molecular weight of 307.38 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 136779611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).