3-(3-morpholin-4-ylpropylamino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one

C15H21N5O2S — CID 136779677

IUPAC3-(3-morpholin-4-ylpropylamino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(NCCCN2CCOCC2)nnc1Cc1cccs1
InChIInChI=1S/C15H21N5O2S/c21-14-13(11-12-3-1-10-23-12)18-19-15(17-14)16-4-2-5-20-6-8-22-9-7-20/h1,3,10H,2,4-9,11H2,(H2,16,17,19,21)
InChIKeyRADQAIWUUAPTGQ-UHFFFAOYSA-N
MW335.43 g/mol
LogP0.95
Rot. Bonds7

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

3-(3-morpholin-4-ylpropylamino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one (PubChem CID 136779677) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpropylamino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpropylamino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one
PubChem CID136779677
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name3-(3-morpholin-4-ylpropylamino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(NCCCN2CCOCC2)nnc1Cc1cccs1
InChIInChI=1S/C15H21N5O2S/c21-14-13(11-12-3-1-10-23-12)18-19-15(17-14)16-4-2-5-20-6-8-22-9-7-20/h1,3,10H,2,4-9,11H2,(H2,16,17,19,21)
InChIKeyRADQAIWUUAPTGQ-UHFFFAOYSA-N
XLogP0.95
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 136779611
6-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-4H-1,2,4-triazin-5-one
CID 135634761
3-(4-bromoanilino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136779043
3-(4-ethylanilino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136778682
1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea
CID 108889167
3-(2,5-dimethoxyanilino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136778675
3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one
CID 115656848
2-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 136779605
3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28657357
4-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]morpholine
CID 60575640
3-[4-(3-methylphenyl)piperazin-1-yl]-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136780304
2-(3-morpholin-4-ylpropylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile
CID 135434900

Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylpropylamino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(3-morpholin-4-ylpropylamino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one (CID 136779677) is 3-(3-morpholin-4-ylpropylamino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(3-morpholin-4-ylpropylamino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(3-morpholin-4-ylpropylamino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one is O=c1[nH]c(NCCCN2CCOCC2)nnc1Cc1cccs1.
What is the InChIKey of 3-(3-morpholin-4-ylpropylamino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one?
The InChIKey is RADQAIWUUAPTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c21-14-13(11-12-3-1-10-23-12)18-19-15(17-14)16-4-2-5-20-6-8-22-9-7-20/h1,3,10H,2,4-9,11H2,(H2,16,17,19,21).
What are the key properties of 3-(3-morpholin-4-ylpropylamino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one?
3-(3-morpholin-4-ylpropylamino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one has a molecular weight of 335.43 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpropylamino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 136779677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).