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

C10H13N5O2 — CID 10014295

IUPAC3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid
SMILESCNc1nc(C)nc2c(CCC(=O)O)cnn12
InChIInChI=1S/C10H13N5O2/c1-6-13-9-7(3-4-8(16)17)5-12-15(9)10(11-2)14-6/h5H,3-4H2,1-2H3,(H,16,17)(H,11,13,14)
InChIKeyWTDOFRWRDSDKPH-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.49
Rot. Bonds4

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

3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid (PubChem CID 10014295) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid
PubChem CID10014295
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid
SMILESCNc1nc(C)nc2c(CCC(=O)O)cnn12
InChIInChI=1S/C10H13N5O2/c1-6-13-9-7(3-4-8(16)17)5-12-15(9)10(11-2)14-6/h5H,3-4H2,1-2H3,(H,16,17)(H,11,13,14)
InChIKeyWTDOFRWRDSDKPH-UHFFFAOYSA-N
XLogP0.49
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.49
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]propanoic acid?
The IUPAC name of 3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid (CID 10014295) is 3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid.
What is the SMILES notation for 3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid?
The canonical SMILES for 3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid is CNc1nc(C)nc2c(CCC(=O)O)cnn12.
What is the InChIKey of 3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid?
The InChIKey is WTDOFRWRDSDKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-6-13-9-7(3-4-8(16)17)5-12-15(9)10(11-2)14-6/h5H,3-4H2,1-2H3,(H,16,17)(H,11,13,14).
What are the key properties of 3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid?
3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid has a molecular weight of 235.25 g/mol, XLogP of 0.49, 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]propanoic acid is sourced from PubChem (CID 10014295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).