N-methyl-N-phenyl-8-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

C24H25N5O2 — CID 130418486

IUPACN-methyl-N-phenyl-8-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCN(c1ccccc1)c1ncnc2c(C3CCC(COCc4ccccc4)O3)cnn12
InChIInChI=1S/C24H25N5O2/c1-28(19-10-6-3-7-11-19)24-26-17-25-23-21(14-27-29(23)24)22-13-12-20(31-22)16-30-15-18-8-4-2-5-9-18/h2-11,14,17,20,22H,12-13,15-16H2,1H3
InChIKeyNJTNFNBSMMDCER-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.33
Rot. Bonds7

About N-methyl-N-phenyl-8-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

N-methyl-N-phenyl-8-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 130418486) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-methyl-N-phenyl-8-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-methyl-N-phenyl-8-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID130418486
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-methyl-N-phenyl-8-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCN(c1ccccc1)c1ncnc2c(C3CCC(COCc4ccccc4)O3)cnn12
InChIInChI=1S/C24H25N5O2/c1-28(19-10-6-3-7-11-19)24-26-17-25-23-21(14-27-29(23)24)22-13-12-20(31-22)16-30-15-18-8-4-2-5-9-18/h2-11,14,17,20,22H,12-13,15-16H2,1H3
InChIKeyNJTNFNBSMMDCER-UHFFFAOYSA-N
XLogP4.33
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-phenyl-8-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-8-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-methyl-N-phenyl-8-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 130418486) is N-methyl-N-phenyl-8-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-methyl-N-phenyl-8-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-methyl-N-phenyl-8-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is CN(c1ccccc1)c1ncnc2c(C3CCC(COCc4ccccc4)O3)cnn12.
What is the InChIKey of N-methyl-N-phenyl-8-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is NJTNFNBSMMDCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-28(19-10-6-3-7-11-19)24-26-17-25-23-21(14-27-29(23)24)22-13-12-20(31-22)16-30-15-18-8-4-2-5-9-18/h2-11,14,17,20,22H,12-13,15-16H2,1H3.
What are the key properties of N-methyl-N-phenyl-8-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-methyl-N-phenyl-8-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 415.50 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-8-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 130418486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).