7-methyl-3-(4-methylphenyl)-1,2,4-benzotriazine

C15H13N3 — CID 12759616

IUPAC7-methyl-3-(4-methylphenyl)-1,2,4-benzotriazine
SMILESCc1ccc(-c2nnc3cc(C)ccc3n2)cc1
InChIInChI=1S/C15H13N3/c1-10-3-6-12(7-4-10)15-16-13-8-5-11(2)9-14(13)17-18-15/h3-9H,1-2H3
InChIKeyNESXPCNSYCNZTC-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.31
Rot. Bonds1

About 7-methyl-3-(4-methylphenyl)-1,2,4-benzotriazine

7-methyl-3-(4-methylphenyl)-1,2,4-benzotriazine (PubChem CID 12759616) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 7-methyl-3-(4-methylphenyl)-1,2,4-benzotriazine.

Molecular Properties

Compound Name7-methyl-3-(4-methylphenyl)-1,2,4-benzotriazine
PubChem CID12759616
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name7-methyl-3-(4-methylphenyl)-1,2,4-benzotriazine
SMILESCc1ccc(-c2nnc3cc(C)ccc3n2)cc1
InChIInChI=1S/C15H13N3/c1-10-3-6-12(7-4-10)15-16-13-8-5-11(2)9-14(13)17-18-15/h3-9H,1-2H3
InChIKeyNESXPCNSYCNZTC-UHFFFAOYSA-N
XLogP3.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,9-dimethylbenzo[c]cinnoline
CID 14472808
3-(4-methoxyphenyl)-1,2,4-benzotriazine
CID 12759619
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 59002233
3-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-6-methylquinoxalin-2-yl]phenyl]-6-methylquinoxaline
CID 58883088
7-methyl-2-phenylquinazoline
CID 102363369
4-(4,6-dimethylquinazolin-2-yl)-N,N-dimethylaniline
CID 102212163
3-imidazol-1-yl-7-methyl-1,2,4-benzotriazine
CID 142065994
2-(3-methylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 171058363
7-methylphenazin-2-ol
CID 135430298
6-methyl-2,3-bis(methylsulfanyl)quinoxaline
CID 139445231
2-(4-methoxyphenyl)-6-methylquinazolin-4-amine
CID 64983774
2,7-dimethylacridine
CID 14490101

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(4-methylphenyl)-1,2,4-benzotriazine?
The IUPAC name of 7-methyl-3-(4-methylphenyl)-1,2,4-benzotriazine (CID 12759616) is 7-methyl-3-(4-methylphenyl)-1,2,4-benzotriazine.
What is the SMILES notation for 7-methyl-3-(4-methylphenyl)-1,2,4-benzotriazine?
The canonical SMILES for 7-methyl-3-(4-methylphenyl)-1,2,4-benzotriazine is Cc1ccc(-c2nnc3cc(C)ccc3n2)cc1.
What is the InChIKey of 7-methyl-3-(4-methylphenyl)-1,2,4-benzotriazine?
The InChIKey is NESXPCNSYCNZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-10-3-6-12(7-4-10)15-16-13-8-5-11(2)9-14(13)17-18-15/h3-9H,1-2H3.
What are the key properties of 7-methyl-3-(4-methylphenyl)-1,2,4-benzotriazine?
7-methyl-3-(4-methylphenyl)-1,2,4-benzotriazine has a molecular weight of 235.29 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(4-methylphenyl)-1,2,4-benzotriazine is sourced from PubChem (CID 12759616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).