4-methyl-2,5,6-tri(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C15H24N4O — CID 130286675

IUPAC4-methyl-2,5,6-tri(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1nc2n(C)c(C(C)C)c(C(C)C)c(=O)n2n1
InChIInChI=1S/C15H24N4O/c1-8(2)11-12(9(3)4)18(7)15-16-13(10(5)6)17-19(15)14(11)20/h8-10H,1-7H3
InChIKeyNEFPTKSCYXSVLS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.80
Rot. Bonds3

About 4-methyl-2,5,6-tri(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

4-methyl-2,5,6-tri(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 130286675) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-methyl-2,5,6-tri(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-2,5,6-tri(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID130286675
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-methyl-2,5,6-tri(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1nc2n(C)c(C(C)C)c(C(C)C)c(=O)n2n1
InChIInChI=1S/C15H24N4O/c1-8(2)11-12(9(3)4)18(7)15-16-13(10(5)6)17-19(15)14(11)20/h8-10H,1-7H3
InChIKeyNEFPTKSCYXSVLS-UHFFFAOYSA-N
XLogP2.80
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2,5,6-tri(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

2,4,5,6-Tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 130287913
2-Cyclopropyl-4-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 141276237
6-(2-aminoethyl)-7-methyl-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 136345047
7-Ethyl-2,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773952
2,7-Dimethyl-6-(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773958
6-Ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773975
2,7-Diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 137004082
2,6-Diethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 137004083
2-ethyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137004101
2-cyclopropyl-7-ethyl-6-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137004116
2-cyclopropyl-6-ethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137004117
2-cyclopropyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137015334

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,5,6-tri(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 4-methyl-2,5,6-tri(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 130286675) is 4-methyl-2,5,6-tri(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-2,5,6-tri(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 4-methyl-2,5,6-tri(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1nc2n(C)c(C(C)C)c(C(C)C)c(=O)n2n1.
What is the InChIKey of 4-methyl-2,5,6-tri(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NEFPTKSCYXSVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-8(2)11-12(9(3)4)18(7)15-16-13(10(5)6)17-19(15)14(11)20/h8-10H,1-7H3.
What are the key properties of 4-methyl-2,5,6-tri(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
4-methyl-2,5,6-tri(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 276.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,5,6-tri(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 130286675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).