1-[3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]ethanone

C15H15N5O — CID 24874238

IUPAC1-[3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]ethanone
SMILESCNc1nc(C)nc2c(-c3cccc(C(C)=O)c3)cnn12
InChIInChI=1S/C15H15N5O/c1-9(21)11-5-4-6-12(7-11)13-8-17-20-14(13)18-10(2)19-15(20)16-3/h4-8H,1-3H3,(H,16,18,19)
InChIKeyNNEZDASDJQMHLX-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.34
Rot. Bonds3

About 1-[3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]ethanone

1-[3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]ethanone (PubChem CID 24874238) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]ethanone
PubChem CID24874238
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-[3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]ethanone
SMILESCNc1nc(C)nc2c(-c3cccc(C(C)=O)c3)cnn12
InChIInChI=1S/C15H15N5O/c1-9(21)11-5-4-6-12(7-11)13-8-17-20-14(13)18-10(2)19-15(20)16-3/h4-8H,1-3H3,(H,16,18,19)
InChIKeyNNEZDASDJQMHLX-UHFFFAOYSA-N
XLogP2.34
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]ethanone (CID 24874238) is 1-[3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]ethanone is CNc1nc(C)nc2c(-c3cccc(C(C)=O)c3)cnn12.
What is the InChIKey of 1-[3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]ethanone?
The InChIKey is NNEZDASDJQMHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-9(21)11-5-4-6-12(7-11)13-8-17-20-14(13)18-10(2)19-15(20)16-3/h4-8H,1-3H3,(H,16,18,19).
What are the key properties of 1-[3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]ethanone?
1-[3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]ethanone has a molecular weight of 281.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]ethanone is sourced from PubChem (CID 24874238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).