7-(5-chloro-2-methylphenyl)-6-methyl-N-phenyl-1,2,4-benzotriazin-3-amine

C21H17ClN4 — CID 141186731

IUPAC7-(5-chloro-2-methylphenyl)-6-methyl-N-phenyl-1,2,4-benzotriazin-3-amine
SMILESCc1ccc(Cl)cc1-c1cc2nnc(Nc3ccccc3)nc2cc1C
InChIInChI=1S/C21H17ClN4/c1-13-8-9-15(22)11-17(13)18-12-20-19(10-14(18)2)24-21(26-25-20)23-16-6-4-3-5-7-16/h3-12H,1-2H3,(H,23,24,26)
InChIKeyZDFGOEGDDJUWKP-UHFFFAOYSA-N
MW360.85 g/mol
LogP5.71
Rot. Bonds3

About 7-(5-chloro-2-methylphenyl)-6-methyl-N-phenyl-1,2,4-benzotriazin-3-amine

7-(5-chloro-2-methylphenyl)-6-methyl-N-phenyl-1,2,4-benzotriazin-3-amine (PubChem CID 141186731) has the molecular formula C21H17ClN4 and a molecular weight of 360.85 g/mol. Its IUPAC name is 7-(5-chloro-2-methylphenyl)-6-methyl-N-phenyl-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound Name7-(5-chloro-2-methylphenyl)-6-methyl-N-phenyl-1,2,4-benzotriazin-3-amine
PubChem CID141186731
Molecular FormulaC21H17ClN4
Molecular Weight360.85 g/mol
Exact Mass360.11
IUPAC Name7-(5-chloro-2-methylphenyl)-6-methyl-N-phenyl-1,2,4-benzotriazin-3-amine
SMILESCc1ccc(Cl)cc1-c1cc2nnc(Nc3ccccc3)nc2cc1C
InChIInChI=1S/C21H17ClN4/c1-13-8-9-15(22)11-17(13)18-12-20-19(10-14(18)2)24-21(26-25-20)23-16-6-4-3-5-7-16/h3-12H,1-2H3,(H,23,24,26)
InChIKeyZDFGOEGDDJUWKP-UHFFFAOYSA-N
XLogP5.71
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.85
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-2-methylphenyl)-6-methyl-N-phenyl-1,2,4-benzotriazin-3-amine?
The IUPAC name of 7-(5-chloro-2-methylphenyl)-6-methyl-N-phenyl-1,2,4-benzotriazin-3-amine (CID 141186731) is 7-(5-chloro-2-methylphenyl)-6-methyl-N-phenyl-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for 7-(5-chloro-2-methylphenyl)-6-methyl-N-phenyl-1,2,4-benzotriazin-3-amine?
The canonical SMILES for 7-(5-chloro-2-methylphenyl)-6-methyl-N-phenyl-1,2,4-benzotriazin-3-amine is Cc1ccc(Cl)cc1-c1cc2nnc(Nc3ccccc3)nc2cc1C.
What is the InChIKey of 7-(5-chloro-2-methylphenyl)-6-methyl-N-phenyl-1,2,4-benzotriazin-3-amine?
The InChIKey is ZDFGOEGDDJUWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4/c1-13-8-9-15(22)11-17(13)18-12-20-19(10-14(18)2)24-21(26-25-20)23-16-6-4-3-5-7-16/h3-12H,1-2H3,(H,23,24,26).
What are the key properties of 7-(5-chloro-2-methylphenyl)-6-methyl-N-phenyl-1,2,4-benzotriazin-3-amine?
7-(5-chloro-2-methylphenyl)-6-methyl-N-phenyl-1,2,4-benzotriazin-3-amine has a molecular weight of 360.85 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-2-methylphenyl)-6-methyl-N-phenyl-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 141186731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).