5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolane-2-carbaldehyde

C17H17N5O2 — CID 156542815

IUPAC5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolane-2-carbaldehyde
SMILESCN(c1ccccc1)c1ncnc2c(C3CCC(C=O)O3)cnn12
InChIInChI=1S/C17H17N5O2/c1-21(12-5-3-2-4-6-12)17-19-11-18-16-14(9-20-22(16)17)15-8-7-13(10-23)24-15/h2-6,9-11,13,15H,7-8H2,1H3
InChIKeyRTBXRJCWQQRJDN-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.31
Rot. Bonds4

About 5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolane-2-carbaldehyde

5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolane-2-carbaldehyde (PubChem CID 156542815) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolane-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolane-2-carbaldehyde
PubChem CID156542815
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolane-2-carbaldehyde
SMILESCN(c1ccccc1)c1ncnc2c(C3CCC(C=O)O3)cnn12
InChIInChI=1S/C17H17N5O2/c1-21(12-5-3-2-4-6-12)17-19-11-18-16-14(9-20-22(16)17)15-8-7-13(10-23)24-15/h2-6,9-11,13,15H,7-8H2,1H3
InChIKeyRTBXRJCWQQRJDN-UHFFFAOYSA-N
XLogP2.31
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolane-2-carbaldehyde?
The IUPAC name of 5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolane-2-carbaldehyde (CID 156542815) is 5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolane-2-carbaldehyde.
What is the SMILES notation for 5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolane-2-carbaldehyde?
The canonical SMILES for 5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolane-2-carbaldehyde is CN(c1ccccc1)c1ncnc2c(C3CCC(C=O)O3)cnn12.
What is the InChIKey of 5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolane-2-carbaldehyde?
The InChIKey is RTBXRJCWQQRJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-21(12-5-3-2-4-6-12)17-19-11-18-16-14(9-20-22(16)17)15-8-7-13(10-23)24-15/h2-6,9-11,13,15H,7-8H2,1H3.
What are the key properties of 5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolane-2-carbaldehyde?
5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolane-2-carbaldehyde has a molecular weight of 323.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolane-2-carbaldehyde is sourced from PubChem (CID 156542815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).