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

C11H16N6O — CID 91543171

IUPAC3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]butanamide
SMILESCNc1nc(C)nc2c(C(C)CC(N)=O)cnn12
InChIInChI=1S/C11H16N6O/c1-6(4-9(12)18)8-5-14-17-10(8)15-7(2)16-11(17)13-3/h5-6H,4H2,1-3H3,(H2,12,18)(H,13,15,16)
InChIKeyXZABMAGKTOTNOZ-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.45
Rot. Bonds4

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

3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]butanamide (PubChem CID 91543171) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]butanamide.

Molecular Properties

Compound Name3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]butanamide
PubChem CID91543171
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]butanamide
SMILESCNc1nc(C)nc2c(C(C)CC(N)=O)cnn12
InChIInChI=1S/C11H16N6O/c1-6(4-9(12)18)8-5-14-17-10(8)15-7(2)16-11(17)13-3/h5-6H,4H2,1-3H3,(H2,12,18)(H,13,15,16)
InChIKeyXZABMAGKTOTNOZ-UHFFFAOYSA-N
XLogP0.45
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]butanamide?
The IUPAC name of 3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]butanamide (CID 91543171) is 3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]butanamide.
What is the SMILES notation for 3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]butanamide?
The canonical SMILES for 3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]butanamide is CNc1nc(C)nc2c(C(C)CC(N)=O)cnn12.
What is the InChIKey of 3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]butanamide?
The InChIKey is XZABMAGKTOTNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-6(4-9(12)18)8-5-14-17-10(8)15-7(2)16-11(17)13-3/h5-6H,4H2,1-3H3,(H2,12,18)(H,13,15,16).
What are the key properties of 3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]butanamide?
3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]butanamide has a molecular weight of 248.29 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]butanamide is sourced from PubChem (CID 91543171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).