2-cyclopropyl-7-ethyl-6-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C11H14N4O — CID 137004116

IUPAC2-cyclopropyl-7-ethyl-6-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1c(C)c(=O)[nH]c2nc(C3CC3)nn12
InChIInChI=1S/C11H14N4O/c1-3-8-6(2)10(16)13-11-12-9(7-4-5-7)14-15(8)11/h7H,3-5H2,1-2H3,(H,12,13,14,16)
InChIKeyWOQICORZUJFZQP-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.17
Rot. Bonds2

About 2-cyclopropyl-7-ethyl-6-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

2-cyclopropyl-7-ethyl-6-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 137004116) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-cyclopropyl-7-ethyl-6-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-cyclopropyl-7-ethyl-6-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID137004116
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-cyclopropyl-7-ethyl-6-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1c(C)c(=O)[nH]c2nc(C3CC3)nn12
InChIInChI=1S/C11H14N4O/c1-3-8-6(2)10(16)13-11-12-9(7-4-5-7)14-15(8)11/h7H,3-5H2,1-2H3,(H,12,13,14,16)
InChIKeyWOQICORZUJFZQP-UHFFFAOYSA-N
XLogP1.17
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-ethyl-6-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-cyclopropyl-7-ethyl-6-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 137004116) is 2-cyclopropyl-7-ethyl-6-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-cyclopropyl-7-ethyl-6-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-cyclopropyl-7-ethyl-6-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCc1c(C)c(=O)[nH]c2nc(C3CC3)nn12.
What is the InChIKey of 2-cyclopropyl-7-ethyl-6-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is WOQICORZUJFZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-3-8-6(2)10(16)13-11-12-9(7-4-5-7)14-15(8)11/h7H,3-5H2,1-2H3,(H,12,13,14,16).
What are the key properties of 2-cyclopropyl-7-ethyl-6-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-cyclopropyl-7-ethyl-6-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 218.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-ethyl-6-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137004116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).