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

C12H16N4O — CID 137015334

IUPAC2-cyclopropyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1c(C(C)C)c(=O)[nH]c2nc(C3CC3)nn12
InChIInChI=1S/C12H16N4O/c1-6(2)9-7(3)16-12(14-11(9)17)13-10(15-16)8-4-5-8/h6,8H,4-5H2,1-3H3,(H,13,14,15,17)
InChIKeyJEAGAWQNIYIMSA-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.73
Rot. Bonds2

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

2-cyclopropyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 137015334) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-cyclopropyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-cyclopropyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID137015334
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-cyclopropyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1c(C(C)C)c(=O)[nH]c2nc(C3CC3)nn12
InChIInChI=1S/C12H16N4O/c1-6(2)9-7(3)16-12(14-11(9)17)13-10(15-16)8-4-5-8/h6,8H,4-5H2,1-3H3,(H,13,14,15,17)
InChIKeyJEAGAWQNIYIMSA-UHFFFAOYSA-N
XLogP1.73
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-cyclopropyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 137015334) is 2-cyclopropyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-cyclopropyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-cyclopropyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is Cc1c(C(C)C)c(=O)[nH]c2nc(C3CC3)nn12.
What is the InChIKey of 2-cyclopropyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is JEAGAWQNIYIMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-6(2)9-7(3)16-12(14-11(9)17)13-10(15-16)8-4-5-8/h6,8H,4-5H2,1-3H3,(H,13,14,15,17).
What are the key properties of 2-cyclopropyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-cyclopropyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 232.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137015334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).