6-benzyl-N-[(2-ethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C22H23N5O — CID 46094526

IUPAC6-benzyl-N-[(2-ethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCOc1ccccc1CNc1c(Cc2ccccc2)c(C)nc2ncnn12
InChIInChI=1S/C22H23N5O/c1-3-28-20-12-8-7-11-18(20)14-23-21-19(13-17-9-5-4-6-10-17)16(2)26-22-24-15-25-27(21)22/h4-12,15,23H,3,13-14H2,1-2H3
InChIKeyBHRYHSKBBMIPCA-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.03
Rot. Bonds7

About 6-benzyl-N-[(2-ethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-benzyl-N-[(2-ethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 46094526) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-benzyl-N-[(2-ethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-benzyl-N-[(2-ethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID46094526
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name6-benzyl-N-[(2-ethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCOc1ccccc1CNc1c(Cc2ccccc2)c(C)nc2ncnn12
InChIInChI=1S/C22H23N5O/c1-3-28-20-12-8-7-11-18(20)14-23-21-19(13-17-9-5-4-6-10-17)16(2)26-22-24-15-25-27(21)22/h4-12,15,23H,3,13-14H2,1-2H3
InChIKeyBHRYHSKBBMIPCA-UHFFFAOYSA-N
XLogP4.03
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-benzyl-N-[(2-ethoxyphenyl)methyl]-5-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 6-benzyl-N-[(2-ethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-benzyl-N-[(2-ethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 46094526) is 6-benzyl-N-[(2-ethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-benzyl-N-[(2-ethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-benzyl-N-[(2-ethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCOc1ccccc1CNc1c(Cc2ccccc2)c(C)nc2ncnn12.
What is the InChIKey of 6-benzyl-N-[(2-ethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BHRYHSKBBMIPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-3-28-20-12-8-7-11-18(20)14-23-21-19(13-17-9-5-4-6-10-17)16(2)26-22-24-15-25-27(21)22/h4-12,15,23H,3,13-14H2,1-2H3.
What are the key properties of 6-benzyl-N-[(2-ethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-benzyl-N-[(2-ethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 373.46 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-[(2-ethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 46094526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).