7-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C11H16N6O2 — CID 81217910

IUPAC7-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC1COC(CN)CN1c1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C11H16N6O2/c1-7-5-19-8(3-12)4-16(7)9-2-10-14-15-11(18)17(10)6-13-9/h2,6-8H,3-5,12H2,1H3,(H,15,18)
InChIKeyDBAPAWDDNBAFDT-UHFFFAOYSA-N
MW264.29 g/mol
LogP-1.03
Rot. Bonds2

About 7-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 81217910) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 7-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID81217910
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name7-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC1COC(CN)CN1c1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C11H16N6O2/c1-7-5-19-8(3-12)4-16(7)9-2-10-14-15-11(18)17(10)6-13-9/h2,6-8H,3-5,12H2,1H3,(H,15,18)
InChIKeyDBAPAWDDNBAFDT-UHFFFAOYSA-N
XLogP-1.03
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one with MolForge

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Related Compounds

7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282684
7-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282148
[5-methyl-4-(2-methylpyrimidin-4-yl)morpholin-2-yl]methanamine
CID 81216984
4-[2-(aminomethyl)-5-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one
CID 137008636
7-(3-amino-4-methylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284104
7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 113282087
7-[2-(hydroxymethyl)azepan-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 116636896
7-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 104892913
2-[4-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperazin-1-yl]ethanethioamide
CID 66282493
[4-(6-aminopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol
CID 81218492
7-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283125
[5-methyl-4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine
CID 81217819

Frequently Asked Questions

What is the IUPAC name of 7-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 81217910) is 7-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CC1COC(CN)CN1c1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of 7-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is DBAPAWDDNBAFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-7-5-19-8(3-12)4-16(7)9-2-10-14-15-11(18)17(10)6-13-9/h2,6-8H,3-5,12H2,1H3,(H,15,18).
What are the key properties of 7-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 264.29 g/mol, XLogP of -1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 81217910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).