5-methyl-2-(morpholine-4-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C11H13N5O3 — CID 6501308

IUPAC5-methyl-2-(morpholine-4-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C(=O)N3CCOCC3)nc2n1
InChIInChI=1S/C11H13N5O3/c1-7-6-8(17)16-11(12-7)13-9(14-16)10(18)15-2-4-19-5-3-15/h6H,2-5H2,1H3,(H,12,13,14)
InChIKeyQCZOCSUGWUISTB-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.80
Rot. Bonds1

About 5-methyl-2-(morpholine-4-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-methyl-2-(morpholine-4-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 6501308) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 5-methyl-2-(morpholine-4-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-(morpholine-4-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID6501308
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name5-methyl-2-(morpholine-4-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C(=O)N3CCOCC3)nc2n1
InChIInChI=1S/C11H13N5O3/c1-7-6-8(17)16-11(12-7)13-9(14-16)10(18)15-2-4-19-5-3-15/h6H,2-5H2,1H3,(H,12,13,14)
InChIKeyQCZOCSUGWUISTB-UHFFFAOYSA-N
XLogP-0.80
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1,2-dihydroxy-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 14985283
2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one
CID 22118185
(2-hydrazinyl-6-methyl-4-pyridinyl)-morpholin-4-ylmethanone
CID 70843948
2-(3-aminopropyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455266
(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone
CID 167445658
[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324359
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-morpholin-4-ylmethanone
CID 17060260
(4,6-dimethyl-2-piperidin-1-yl-3-pyridinyl)-morpholin-4-ylmethanone
CID 102432924
[2-(diethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 71688921
2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 66490209
2-(3-aminopyrrolidin-1-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 102549139
[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324420

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(morpholine-4-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-(morpholine-4-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 6501308) is 5-methyl-2-(morpholine-4-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-(morpholine-4-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-(morpholine-4-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(C(=O)N3CCOCC3)nc2n1.
What is the InChIKey of 5-methyl-2-(morpholine-4-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QCZOCSUGWUISTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-7-6-8(17)16-11(12-7)13-9(14-16)10(18)15-2-4-19-5-3-15/h6H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 5-methyl-2-(morpholine-4-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-(morpholine-4-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 263.26 g/mol, XLogP of -0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(morpholine-4-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 6501308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).