7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C12H17N5O3 — CID 114775928

IUPAC7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC1(C)CNCC(COc2cc3n[nH]c(=O)n3cn2)O1
InChIInChI=1S/C12H17N5O3/c1-12(2)6-13-4-8(20-12)5-19-10-3-9-15-16-11(18)17(9)7-14-10/h3,7-8,13H,4-6H2,1-2H3,(H,16,18)
InChIKeyFNJXDHIBVRHMSP-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.44
Rot. Bonds3

About 7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 114775928) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID114775928
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC1(C)CNCC(COc2cc3n[nH]c(=O)n3cn2)O1
InChIInChI=1S/C12H17N5O3/c1-12(2)6-13-4-8(20-12)5-19-10-3-9-15-16-11(18)17(9)7-14-10/h3,7-8,13H,4-6H2,1-2H3,(H,16,18)
InChIKeyFNJXDHIBVRHMSP-UHFFFAOYSA-N
XLogP-0.44
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one with MolForge

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Related Compounds

6-[(5-bromo-4-methyl-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine
CID 114869831
6-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine
CID 114775678
4-[(6,6-dimethylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114775696
6-[(4-methoxy-6-methylpyrimidin-2-yl)oxymethyl]-2,2-dimethylmorpholine
CID 114775691
7-[(1-aminocycloheptyl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282351
2,2-dimethyl-6-[(1-methylimidazol-2-yl)oxymethyl]morpholine
CID 114775834
2,2-dimethyl-6-[(6-propoxypyrazin-2-yl)oxymethyl]morpholine
CID 114775746
6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile
CID 114775825
6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine
CID 114775810
3-[(6,6-dimethylmorpholin-2-yl)methoxy]-1-ethylpyrazin-2-one
CID 114775957
2,2-dimethyl-6-[(4-methylpyrimidin-2-yl)oxymethyl]morpholine
CID 114775795
4-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-2-carboxamide
CID 114775946

Frequently Asked Questions

What is the IUPAC name of 7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 114775928) is 7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CC1(C)CNCC(COc2cc3n[nH]c(=O)n3cn2)O1.
What is the InChIKey of 7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is FNJXDHIBVRHMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-12(2)6-13-4-8(20-12)5-19-10-3-9-15-16-11(18)17(9)7-14-10/h3,7-8,13H,4-6H2,1-2H3,(H,16,18).
What are the key properties of 7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 279.30 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 114775928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).