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

C11H16N6O2 — CID 66284127

IUPAC7-[2-(aminomethyl)morpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(N2CCOC(CN)C2)cc2n[nH]c(=O)n12
InChIInChI=1S/C11H16N6O2/c1-7-13-9(4-10-14-15-11(18)17(7)10)16-2-3-19-8(5-12)6-16/h4,8H,2-3,5-6,12H2,1H3,(H,15,18)
InChIKeyFONWRYZBAABBDZ-UHFFFAOYSA-N
MW264.29 g/mol
LogP-1.11
Rot. Bonds2

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

7-[2-(aminomethyl)morpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66284127) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 7-[2-(aminomethyl)morpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[2-(aminomethyl)morpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66284127
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name7-[2-(aminomethyl)morpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(N2CCOC(CN)C2)cc2n[nH]c(=O)n12
InChIInChI=1S/C11H16N6O2/c1-7-13-9(4-10-14-15-11(18)17(7)10)16-2-3-19-8(5-12)6-16/h4,8H,2-3,5-6,12H2,1H3,(H,15,18)
InChIKeyFONWRYZBAABBDZ-UHFFFAOYSA-N
XLogP-1.11
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 ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(aminomethyl)morpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[2-(aminomethyl)morpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66284127) is 7-[2-(aminomethyl)morpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[2-(aminomethyl)morpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[2-(aminomethyl)morpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(N2CCOC(CN)C2)cc2n[nH]c(=O)n12.
What is the InChIKey of 7-[2-(aminomethyl)morpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is FONWRYZBAABBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-7-13-9(4-10-14-15-11(18)17(7)10)16-2-3-19-8(5-12)6-16/h4,8H,2-3,5-6,12H2,1H3,(H,15,18).
What are the key properties of 7-[2-(aminomethyl)morpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[2-(aminomethyl)morpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 264.29 g/mol, XLogP of -1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(aminomethyl)morpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66284127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).