5-ethyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C10H14N4O — CID 94076849

IUPAC5-ethyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCCc1cc2n[nH]c(=O)n2c(CC)n1
InChIInChI=1S/C10H14N4O/c1-3-5-7-6-9-12-13-10(15)14(9)8(4-2)11-7/h6H,3-5H2,1-2H3,(H,13,15)
InChIKeyLWWULAHLXZHROG-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.93
Rot. Bonds3

About 5-ethyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

5-ethyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 94076849) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-ethyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-ethyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID94076849
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5-ethyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCCc1cc2n[nH]c(=O)n2c(CC)n1
InChIInChI=1S/C10H14N4O/c1-3-5-7-6-9-12-13-10(15)14(9)8(4-2)11-7/h6H,3-5H2,1-2H3,(H,13,15)
InChIKeyLWWULAHLXZHROG-UHFFFAOYSA-N
XLogP0.93
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-ethyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 94076849) is 5-ethyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-ethyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-ethyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCCc1cc2n[nH]c(=O)n2c(CC)n1.
What is the InChIKey of 5-ethyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is LWWULAHLXZHROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-3-5-7-6-9-12-13-10(15)14(9)8(4-2)11-7/h6H,3-5H2,1-2H3,(H,13,15).
What are the key properties of 5-ethyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-ethyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 206.25 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 94076849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).