3-benzyl-N-[(2-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine

C19H18N6O — CID 655157

IUPAC3-benzyl-N-[(2-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCOc1ccccc1CNc1ncnc2c1nnn2Cc1ccccc1
InChIInChI=1S/C19H18N6O/c1-26-16-10-6-5-9-15(16)11-20-18-17-19(22-13-21-18)25(24-23-17)12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,20,21,22)
InChIKeyJISRQFYNSLEHAN-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.89
Rot. Bonds6

About 3-benzyl-N-[(2-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine

3-benzyl-N-[(2-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 655157) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-benzyl-N-[(2-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-benzyl-N-[(2-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine
PubChem CID655157
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name3-benzyl-N-[(2-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCOc1ccccc1CNc1ncnc2c1nnn2Cc1ccccc1
InChIInChI=1S/C19H18N6O/c1-26-16-10-6-5-9-15(16)11-20-18-17-19(22-13-21-18)25(24-23-17)12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,20,21,22)
InChIKeyJISRQFYNSLEHAN-UHFFFAOYSA-N
XLogP2.89
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-benzyl-N-[(2-methoxyphenyl)methyl]triazolo[4,5-d]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

Related Compounds

Ibrutinib N-desacryloyl impurity
CID 58223272
3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
9-butyl-8-(4-methoxybenzyl)-9H-purin-6-amine
CID 5289227
N-(2-methoxybenzyl)-9H-purin-6-amine
CID 756722
1-(6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl)-3-methylpent-1-yn-3-ol
CID 6538932
Cvt-313
CID 6918386
2,6-Bis(4-methoxyphenyl)purine
CID 11493677
2-(4-methoxyphenyl)-6-phenyl-9H-purine
CID 11536774
Cyclohexyl-(2-phenoxy-9H-purin-6-yl)-amine
CID 11771279
6-[(2~{r})-2-[(2-Methylphenoxy)methyl]pyrrolidin-1-Yl]-7~{h}-Purine
CID 16005070
trans-N-[3-(4-methoxy-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-cyclohexane-1,4-diamine
CID 90389602
9-Butyl-8-(2,5-Dimethoxy-Benzyl)-9h-Purin-6-Ylamine
CID 448969

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[(2-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-benzyl-N-[(2-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine (CID 655157) is 3-benzyl-N-[(2-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-benzyl-N-[(2-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-benzyl-N-[(2-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine is COc1ccccc1CNc1ncnc2c1nnn2Cc1ccccc1.
What is the InChIKey of 3-benzyl-N-[(2-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is JISRQFYNSLEHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-26-16-10-6-5-9-15(16)11-20-18-17-19(22-13-21-18)25(24-23-17)12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,20,21,22).
What are the key properties of 3-benzyl-N-[(2-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
3-benzyl-N-[(2-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 346.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[(2-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 655157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).