2-(hydroxymethyl)-5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol

C17H19N5O3 — CID 102334275

IUPAC2-(hydroxymethyl)-5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol
SMILESCN(c1ccccc1)c1ncnc2c(C3CC(O)C(CO)O3)cnn12
InChIInChI=1S/C17H19N5O3/c1-21(11-5-3-2-4-6-11)17-19-10-18-16-12(8-20-22(16)17)14-7-13(24)15(9-23)25-14/h2-6,8,10,13-15,23-24H,7,9H2,1H3
InChIKeySWXVOTFDQDBKPR-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.08
Rot. Bonds4

About 2-(hydroxymethyl)-5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol

2-(hydroxymethyl)-5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol (PubChem CID 102334275) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol
PubChem CID102334275
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-(hydroxymethyl)-5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol
SMILESCN(c1ccccc1)c1ncnc2c(C3CC(O)C(CO)O3)cnn12
InChIInChI=1S/C17H19N5O3/c1-21(11-5-3-2-4-6-11)17-19-10-18-16-12(8-20-22(16)17)14-7-13(24)15(9-23)25-14/h2-6,8,10,13-15,23-24H,7,9H2,1H3
InChIKeySWXVOTFDQDBKPR-UHFFFAOYSA-N
XLogP1.08
TPSA96.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol?
The IUPAC name of 2-(hydroxymethyl)-5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol (CID 102334275) is 2-(hydroxymethyl)-5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol.
What is the SMILES notation for 2-(hydroxymethyl)-5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol?
The canonical SMILES for 2-(hydroxymethyl)-5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol is CN(c1ccccc1)c1ncnc2c(C3CC(O)C(CO)O3)cnn12.
What is the InChIKey of 2-(hydroxymethyl)-5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol?
The InChIKey is SWXVOTFDQDBKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-21(11-5-3-2-4-6-11)17-19-10-18-16-12(8-20-22(16)17)14-7-13(24)15(9-23)25-14/h2-6,8,10,13-15,23-24H,7,9H2,1H3.
What are the key properties of 2-(hydroxymethyl)-5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol?
2-(hydroxymethyl)-5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol has a molecular weight of 341.37 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol is sourced from PubChem (CID 102334275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).