5-ethyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C11H15N5O — CID 94672044

IUPAC5-ethyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(N3CCCC3)nc2n1
InChIInChI=1S/C11H15N5O/c1-2-8-7-9(17)16-10(12-8)13-11(14-16)15-5-3-4-6-15/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyWSQKRVFJVGUSMV-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.58
Rot. Bonds2

About 5-ethyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-ethyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 94672044) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-ethyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-ethyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID94672044
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name5-ethyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(N3CCCC3)nc2n1
InChIInChI=1S/C11H15N5O/c1-2-8-7-9(17)16-10(12-8)13-11(14-16)15-5-3-4-6-15/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyWSQKRVFJVGUSMV-UHFFFAOYSA-N
XLogP0.58
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-ethyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 94672044) is 5-ethyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-ethyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-ethyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCc1cc(=O)n2[nH]c(N3CCCC3)nc2n1.
What is the InChIKey of 5-ethyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WSQKRVFJVGUSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-2-8-7-9(17)16-10(12-8)13-11(14-16)15-5-3-4-6-15/h7H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 5-ethyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-ethyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 233.27 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 94672044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).