5-morpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C9H11N5O2 — CID 166643226

IUPAC5-morpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(N2CCOCC2)nc2nc[nH]n12
InChIInChI=1S/C9H11N5O2/c15-8-5-7(13-1-3-16-4-2-13)12-9-10-6-11-14(8)9/h5-6H,1-4H2,(H,10,11,12)
InChIKeyDNGPDWVCPIRUME-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.75
Rot. Bonds1

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

5-morpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 166643226) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 5-morpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-morpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID166643226
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name5-morpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(N2CCOCC2)nc2nc[nH]n12
InChIInChI=1S/C9H11N5O2/c15-8-5-7(13-1-3-16-4-2-13)12-9-10-6-11-14(8)9/h5-6H,1-4H2,(H,10,11,12)
InChIKeyDNGPDWVCPIRUME-UHFFFAOYSA-N
XLogP-0.75
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Morpholino-1,2,4-triazolo[1,5-a]pyrimidin-7(8h)-one
CID 13901888
5-(Morpholin-4-yl)pyrazolo-[1,5-a]pyrimidin-7(4h)-one
CID 166643225
2-Methyl-5-(morpholin-4-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4h)-one
CID 166643233
3-Bromo-5-(morpholin-4-yl)pyrazolo[1,5-a]pyrimidin-7(4h)-one
CID 166643236
5-methyl-2-morpholin-4-yl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 5324516
5-(morpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 59476764
5-morpholin-4-yl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 13417019
5-ethyl-2-morpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 112708284
5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 135100773
2-amino-6-(morpholin-4-ylamino)pyrimidin-4(3H)-one
CID 136776204
4-(morpholin-4-ylamino)-1H-pyrimidin-6-one
CID 136976676

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-morpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 166643226) is 5-morpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-morpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-morpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(N2CCOCC2)nc2nc[nH]n12.
What is the InChIKey of 5-morpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DNGPDWVCPIRUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c15-8-5-7(13-1-3-16-4-2-13)12-9-10-6-11-14(8)9/h5-6H,1-4H2,(H,10,11,12).
What are the key properties of 5-morpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-morpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 221.22 g/mol, XLogP of -0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 166643226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).