7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-amine

C14H10Cl2N4 — CID 24822757

IUPAC7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-amine
SMILESCc1cc(-c2c(Cl)cccc2Cl)cc2nnc(N)nc12
InChIInChI=1S/C14H10Cl2N4/c1-7-5-8(12-9(15)3-2-4-10(12)16)6-11-13(7)18-14(17)20-19-11/h2-6H,1H3,(H2,17,18,20)
InChIKeyVIPXIJIKXLCFJS-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.89
Rot. Bonds1

About 7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-amine

7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-amine (PubChem CID 24822757) has the molecular formula C14H10Cl2N4 and a molecular weight of 305.17 g/mol. Its IUPAC name is 7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound Name7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-amine
PubChem CID24822757
Molecular FormulaC14H10Cl2N4
Molecular Weight305.17 g/mol
Exact Mass304.03
IUPAC Name7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-amine
SMILESCc1cc(-c2c(Cl)cccc2Cl)cc2nnc(N)nc12
InChIInChI=1S/C14H10Cl2N4/c1-7-5-8(12-9(15)3-2-4-10(12)16)6-11-13(7)18-14(17)20-19-11/h2-6H,1H3,(H2,17,18,20)
InChIKeyVIPXIJIKXLCFJS-UHFFFAOYSA-N
XLogP3.89
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-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 7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The IUPAC name of 7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-amine (CID 24822757) is 7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for 7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The canonical SMILES for 7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-amine is Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(N)nc12.
What is the InChIKey of 7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The InChIKey is VIPXIJIKXLCFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4/c1-7-5-8(12-9(15)3-2-4-10(12)16)6-11-13(7)18-14(17)20-19-11/h2-6H,1H3,(H2,17,18,20).
What are the key properties of 7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-amine has a molecular weight of 305.17 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 24822757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).