5-phenyl-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C22H21N5O — CID 133353393

IUPAC5-phenyl-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(-c2cc(NCC3CCOC3c3ccccc3)n3ncnc3n2)cc1
InChIInChI=1S/C22H21N5O/c1-3-7-16(8-4-1)19-13-20(27-22(26-19)24-15-25-27)23-14-18-11-12-28-21(18)17-9-5-2-6-10-17/h1-10,13,15,18,21,23H,11-12,14H2
InChIKeyZNHKUPHJEVTSNV-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.98
Rot. Bonds5

About 5-phenyl-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-phenyl-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133353393) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-phenyl-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-phenyl-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133353393
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name5-phenyl-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(-c2cc(NCC3CCOC3c3ccccc3)n3ncnc3n2)cc1
InChIInChI=1S/C22H21N5O/c1-3-7-16(8-4-1)19-13-20(27-22(26-19)24-15-25-27)23-14-18-11-12-28-21(18)17-9-5-2-6-10-17/h1-10,13,15,18,21,23H,11-12,14H2
InChIKeyZNHKUPHJEVTSNV-UHFFFAOYSA-N
XLogP3.98
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-phenyl-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-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 5-phenyl-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-phenyl-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133353393) is 5-phenyl-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-phenyl-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-phenyl-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is c1ccc(-c2cc(NCC3CCOC3c3ccccc3)n3ncnc3n2)cc1.
What is the InChIKey of 5-phenyl-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZNHKUPHJEVTSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-3-7-16(8-4-1)19-13-20(27-22(26-19)24-15-25-27)23-14-18-11-12-28-21(18)17-9-5-2-6-10-17/h1-10,13,15,18,21,23H,11-12,14H2.
What are the key properties of 5-phenyl-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-phenyl-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 371.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133353393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).