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

Analyze 7-(5-chloro-2-methylphenyl)-6-methyl-N-phenyl-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

Related Compounds

2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690554
[4-[[7-(2-chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 11569389
4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112926921
2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720832
4-[[7-(2-fluoro-5-methoxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 59837804
2-N-(4-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 71690634
4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine
CID 86045532
4-(4-chlorophenyl)-3-methyl-N-phenylaniline
CID 156563993
5-chloro-6-methyl-N-phenylquinazolin-2-amine
CID 70864218
2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 46850879
2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690548
2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690550

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).