7-(2-chloro-5-methylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine

C15H13ClN4 — CID 58531729

IUPAC7-(2-chloro-5-methylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
SMILESCc1ccc(Cl)c(-c2cc(C)c3nc(N)nnc3c2)c1
InChIInChI=1S/C15H13ClN4/c1-8-3-4-12(16)11(5-8)10-6-9(2)14-13(7-10)19-20-15(17)18-14/h3-7H,1-2H3,(H2,17,18,20)
InChIKeyBJSKJTUEFYWVNH-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.54
Rot. Bonds1

About 7-(2-chloro-5-methylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine

7-(2-chloro-5-methylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine (PubChem CID 58531729) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 7-(2-chloro-5-methylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound Name7-(2-chloro-5-methylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
PubChem CID58531729
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name7-(2-chloro-5-methylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
SMILESCc1ccc(Cl)c(-c2cc(C)c3nc(N)nnc3c2)c1
InChIInChI=1S/C15H13ClN4/c1-8-3-4-12(16)11(5-8)10-6-9(2)14-13(7-10)19-20-15(17)18-14/h3-7H,1-2H3,(H2,17,18,20)
InChIKeyBJSKJTUEFYWVNH-UHFFFAOYSA-N
XLogP3.54
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-5-methylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The IUPAC name of 7-(2-chloro-5-methylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine (CID 58531729) is 7-(2-chloro-5-methylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for 7-(2-chloro-5-methylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The canonical SMILES for 7-(2-chloro-5-methylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine is Cc1ccc(Cl)c(-c2cc(C)c3nc(N)nnc3c2)c1.
What is the InChIKey of 7-(2-chloro-5-methylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The InChIKey is BJSKJTUEFYWVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-8-3-4-12(16)11(5-8)10-6-9(2)14-13(7-10)19-20-15(17)18-14/h3-7H,1-2H3,(H2,17,18,20).
What are the key properties of 7-(2-chloro-5-methylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
7-(2-chloro-5-methylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine has a molecular weight of 284.75 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-5-methylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 58531729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).