5-(morpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C10H13N5O2 — CID 59476764

IUPAC5-(morpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN2CCOCC2)nc2nc[nH]n12
InChIInChI=1S/C10H13N5O2/c16-9-5-8(6-14-1-3-17-4-2-14)13-10-11-7-12-15(9)10/h5,7H,1-4,6H2,(H,11,12,13)
InChIKeyDAXLFSFPMUYDGB-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.75
Rot. Bonds2

About 5-(morpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-(morpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 59476764) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID59476764
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name5-(morpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN2CCOCC2)nc2nc[nH]n12
InChIInChI=1S/C10H13N5O2/c16-9-5-8(6-14-1-3-17-4-2-14)13-10-11-7-12-15(9)10/h5,7H,1-4,6H2,(H,11,12,13)
InChIKeyDAXLFSFPMUYDGB-UHFFFAOYSA-N
XLogP-0.75
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(morpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Morpholino-1,2,4-triazolo[1,5-a]pyrimidin-7(8h)-one
CID 13901888
5-(Morpholin-4-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 166643226
5-methyl-2-morpholin-4-yl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 5324516
5-methyl-2-(4-methylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 14547519
5-methyl-2-(morpholin-4-ylcarbonyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 6501308
methyl 2-[ethyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate
CID 62011972
ethyl 2-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate
CID 62012962
5-[[2-hydroxyethyl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62016791
5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62020399
5-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62021024
5-[[2-hydroxyethyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62022349
5-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62022696

Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(morpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 59476764) is 5-(morpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(morpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(CN2CCOCC2)nc2nc[nH]n12.
What is the InChIKey of 5-(morpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DAXLFSFPMUYDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c16-9-5-8(6-14-1-3-17-4-2-14)13-10-11-7-12-15(9)10/h5,7H,1-4,6H2,(H,11,12,13).
What are the key properties of 5-(morpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(morpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 235.25 g/mol, XLogP of -0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 59476764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).