7-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C13H20N6O2 — CID 114782238

IUPAC7-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(N2CC(CN)OC(C)(C)C2)cc2n[nH]c(=O)n12
InChIInChI=1S/C13H20N6O2/c1-8-15-10(4-11-16-17-12(20)19(8)11)18-6-9(5-14)21-13(2,3)7-18/h4,9H,5-7,14H2,1-3H3,(H,17,20)
InChIKeySCKJGCGHYXJRAT-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.33
Rot. Bonds2

About 7-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 114782238) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 7-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID114782238
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name7-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(N2CC(CN)OC(C)(C)C2)cc2n[nH]c(=O)n12
InChIInChI=1S/C13H20N6O2/c1-8-15-10(4-11-16-17-12(20)19(8)11)18-6-9(5-14)21-13(2,3)7-18/h4,9H,5-7,14H2,1-3H3,(H,17,20)
InChIKeySCKJGCGHYXJRAT-UHFFFAOYSA-N
XLogP-0.33
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 115300763
7-(4-hydroxy-4-methylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 81115518
7-(3,5-diethylpyrazol-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 82699252
7-(4-hydroxyiminopiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284330
(6,6-dimethyl-4-quinolin-2-ylmorpholin-2-yl)methanamine
CID 114782247
[6,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine
CID 114782371
[4-(6-methoxy-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanamine
CID 114782322
(6,6-dimethyl-4-pyrimidin-2-ylmorpholin-2-yl)methanamine
CID 114782260
[6,6-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholin-2-yl]methanamine
CID 114782239
7-[2-(2-aminoethyl)imidazol-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66274686
7-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284164
[6,6-dimethyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)morpholin-2-yl]methanamine
CID 114782362

Frequently Asked Questions

What is the IUPAC name of 7-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 114782238) is 7-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(N2CC(CN)OC(C)(C)C2)cc2n[nH]c(=O)n12.
What is the InChIKey of 7-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is SCKJGCGHYXJRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-8-15-10(4-11-16-17-12(20)19(8)11)18-6-9(5-14)21-13(2,3)7-18/h4,9H,5-7,14H2,1-3H3,(H,17,20).
What are the key properties of 7-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 292.34 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 114782238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).