5-N-benzyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

C19H19N7O2 — CID 162670975

IUPAC5-N-benzyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESCOc1cc(OC)cc(-c2nc3nc(NCc4ccccc4)nc(N)n3n2)c1
InChIInChI=1S/C19H19N7O2/c1-27-14-8-13(9-15(10-14)28-2)16-22-19-24-18(23-17(20)26(19)25-16)21-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H3,20,21,22,23,24,25)
InChIKeyXECZUYOPDLYRJL-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.40
Rot. Bonds6

About 5-N-benzyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

5-N-benzyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (PubChem CID 162670975) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 5-N-benzyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.

Molecular Properties

Compound Name5-N-benzyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
PubChem CID162670975
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name5-N-benzyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESCOc1cc(OC)cc(-c2nc3nc(NCc4ccccc4)nc(N)n3n2)c1
InChIInChI=1S/C19H19N7O2/c1-27-14-8-13(9-15(10-14)28-2)16-22-19-24-18(23-17(20)26(19)25-16)21-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H3,20,21,22,23,24,25)
InChIKeyXECZUYOPDLYRJL-UHFFFAOYSA-N
XLogP2.40
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-N-benzyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine 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

3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-5-amine
CID 686443
1-Benzyl-3-(3-methoxyphenyl)-5-phenyl-1,2,4-triazole
CID 155528665
5-[7-Amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol
CID 162646142
5-[7-Amino-5-[(3-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol
CID 162648706
3-[7-Amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol
CID 162658541
5-[7-Amino-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol
CID 162664605
5-[7-Amino-5-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol
CID 162665487
3-[7-Amino-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-5-methoxyphenol
CID 162646304
1H-1,2,4-Triazole, 3-(3,5-dimethoxyphenyl)-5-(2-ethylphenyl)-
CID 135353
5-N,7-N-dibenzyl-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 162644766
2-[(4-Fluorophenyl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-amine
CID 162646803
2-[(2-Fluorophenyl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-amine
CID 162647096

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The IUPAC name of 5-N-benzyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (CID 162670975) is 5-N-benzyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.
What is the SMILES notation for 5-N-benzyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The canonical SMILES for 5-N-benzyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is COc1cc(OC)cc(-c2nc3nc(NCc4ccccc4)nc(N)n3n2)c1.
What is the InChIKey of 5-N-benzyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The InChIKey is XECZUYOPDLYRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-27-14-8-13(9-15(10-14)28-2)16-22-19-24-18(23-17(20)26(19)25-16)21-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H3,20,21,22,23,24,25).
What are the key properties of 5-N-benzyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
5-N-benzyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine has a molecular weight of 377.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is sourced from PubChem (CID 162670975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).