7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

C9H11N5O2 — CID 53338160

IUPAC7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
SMILESO=c1[nH]nc2nc(N3CCOCC3)ccn12
InChIInChI=1S/C9H11N5O2/c15-9-12-11-8-10-7(1-2-14(8)9)13-3-5-16-6-4-13/h1-2H,3-6H2,(H,12,15)
InChIKeyLWGNINKZQJVJDA-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.75
Rot. Bonds1

About 7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one (PubChem CID 53338160) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one.

Molecular Properties

Compound Name7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
PubChem CID53338160
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
SMILESO=c1[nH]nc2nc(N3CCOCC3)ccn12
InChIInChI=1S/C9H11N5O2/c15-9-12-11-8-10-7(1-2-14(8)9)13-3-5-16-6-4-13/h1-2H,3-6H2,(H,12,15)
InChIKeyLWGNINKZQJVJDA-UHFFFAOYSA-N
XLogP-0.75
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
The IUPAC name of 7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one (CID 53338160) is 7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one.
What is the SMILES notation for 7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
The canonical SMILES for 7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one is O=c1[nH]nc2nc(N3CCOCC3)ccn12.
What is the InChIKey of 7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
The InChIKey is LWGNINKZQJVJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c15-9-12-11-8-10-7(1-2-14(8)9)13-3-5-16-6-4-13/h1-2H,3-6H2,(H,12,15).
What are the key properties of 7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one has a molecular weight of 221.22 g/mol, XLogP of -0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one is sourced from PubChem (CID 53338160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).