8-ethyl-7-methyl-5-propan-2-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C11H16N4O — CID 94076834

IUPAC8-ethyl-7-methyl-5-propan-2-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCc1c(C)nc(C(C)C)n2c(=O)[nH]nc12
InChIInChI=1S/C11H16N4O/c1-5-8-7(4)12-9(6(2)3)15-10(8)13-14-11(15)16/h6H,5H2,1-4H3,(H,14,16)
InChIKeyMKZOTODIIVOTFS-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.41
Rot. Bonds2

About 8-ethyl-7-methyl-5-propan-2-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

8-ethyl-7-methyl-5-propan-2-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 94076834) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 8-ethyl-7-methyl-5-propan-2-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name8-ethyl-7-methyl-5-propan-2-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID94076834
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name8-ethyl-7-methyl-5-propan-2-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCc1c(C)nc(C(C)C)n2c(=O)[nH]nc12
InChIInChI=1S/C11H16N4O/c1-5-8-7(4)12-9(6(2)3)15-10(8)13-14-11(15)16/h6H,5H2,1-4H3,(H,14,16)
InChIKeyMKZOTODIIVOTFS-UHFFFAOYSA-N
XLogP1.41
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-7-methyl-5-propan-2-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 8-ethyl-7-methyl-5-propan-2-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 94076834) is 8-ethyl-7-methyl-5-propan-2-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 8-ethyl-7-methyl-5-propan-2-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 8-ethyl-7-methyl-5-propan-2-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCc1c(C)nc(C(C)C)n2c(=O)[nH]nc12.
What is the InChIKey of 8-ethyl-7-methyl-5-propan-2-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is MKZOTODIIVOTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-5-8-7(4)12-9(6(2)3)15-10(8)13-14-11(15)16/h6H,5H2,1-4H3,(H,14,16).
What are the key properties of 8-ethyl-7-methyl-5-propan-2-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
8-ethyl-7-methyl-5-propan-2-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 220.28 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7-methyl-5-propan-2-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 94076834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).