7-(2-morpholin-4-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C11H16N6O2 — CID 66283868

IUPAC7-(2-morpholin-4-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(NCCN3CCOCC3)ncn12
InChIInChI=1S/C11H16N6O2/c18-11-15-14-10-7-9(13-8-17(10)11)12-1-2-16-3-5-19-6-4-16/h7-8,12H,1-6H2,(H,15,18)
InChIKeyQNKARTYUUSDYIJ-UHFFFAOYSA-N
MW264.29 g/mol
LogP-0.84
Rot. Bonds4

About 7-(2-morpholin-4-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-(2-morpholin-4-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66283868) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 7-(2-morpholin-4-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(2-morpholin-4-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66283868
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name7-(2-morpholin-4-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(NCCN3CCOCC3)ncn12
InChIInChI=1S/C11H16N6O2/c18-11-15-14-10-7-9(13-8-17(10)11)12-1-2-16-3-5-19-6-4-16/h7-8,12H,1-6H2,(H,15,18)
InChIKeyQNKARTYUUSDYIJ-UHFFFAOYSA-N
XLogP-0.84
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-morpholin-4-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(2-morpholin-4-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66283868) is 7-(2-morpholin-4-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(2-morpholin-4-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(2-morpholin-4-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is O=c1[nH]nc2cc(NCCN3CCOCC3)ncn12.
What is the InChIKey of 7-(2-morpholin-4-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is QNKARTYUUSDYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c18-11-15-14-10-7-9(13-8-17(10)11)12-1-2-16-3-5-19-6-4-16/h7-8,12H,1-6H2,(H,15,18).
What are the key properties of 7-(2-morpholin-4-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(2-morpholin-4-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 264.29 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-morpholin-4-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66283868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).