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

C20H20N6O2 — CID 162658832

IUPAC7-N-benzyl-2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCOc1ccc(-c2nc3cc(NCc4ccccc4)nc(N)n3n2)cc1OC
InChIInChI=1S/C20H20N6O2/c1-27-15-9-8-14(10-16(15)28-2)19-24-18-11-17(23-20(21)26(18)25-19)22-12-13-6-4-3-5-7-13/h3-11,22H,12H2,1-2H3,(H2,21,23)
InChIKeyIAXXRHCFVYZGBY-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.00
Rot. Bonds6

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

7-N-benzyl-2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (PubChem CID 162658832) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 7-N-benzyl-2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name7-N-benzyl-2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
PubChem CID162658832
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name7-N-benzyl-2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCOc1ccc(-c2nc3cc(NCc4ccccc4)nc(N)n3n2)cc1OC
InChIInChI=1S/C20H20N6O2/c1-27-15-9-8-14(10-16(15)28-2)19-24-18-11-17(23-20(21)26(18)25-19)22-12-13-6-4-3-5-7-13/h3-11,22H,12H2,1-2H3,(H2,21,23)
InChIKeyIAXXRHCFVYZGBY-UHFFFAOYSA-N
XLogP3.00
TPSA99.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-N-benzyl-2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 7-N-benzyl-2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The IUPAC name of 7-N-benzyl-2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (CID 162658832) is 7-N-benzyl-2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.
What is the SMILES notation for 7-N-benzyl-2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The canonical SMILES for 7-N-benzyl-2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is COc1ccc(-c2nc3cc(NCc4ccccc4)nc(N)n3n2)cc1OC.
What is the InChIKey of 7-N-benzyl-2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The InChIKey is IAXXRHCFVYZGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-27-15-9-8-14(10-16(15)28-2)19-24-18-11-17(23-20(21)26(18)25-19)22-12-13-6-4-3-5-7-13/h3-11,22H,12H2,1-2H3,(H2,21,23).
What are the key properties of 7-N-benzyl-2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
7-N-benzyl-2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine has a molecular weight of 376.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-benzyl-2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is sourced from PubChem (CID 162658832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).