7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-amine

C15H14N4 — CID 18455757

IUPAC7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-amine
SMILESCc1cccc(C)c1-c1ccc2nc(N)nnc2c1
InChIInChI=1S/C15H14N4/c1-9-4-3-5-10(2)14(9)11-6-7-12-13(8-11)18-19-15(16)17-12/h3-8H,1-2H3,(H2,16,17,19)
InChIKeyCFKCMVCEHGIRLA-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.89
Rot. Bonds1

About 7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-amine

7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-amine (PubChem CID 18455757) has the molecular formula C15H14N4 and a molecular weight of 250.30 g/mol. Its IUPAC name is 7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound Name7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-amine
PubChem CID18455757
Molecular FormulaC15H14N4
Molecular Weight250.30 g/mol
Exact Mass250.12
IUPAC Name7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-amine
SMILESCc1cccc(C)c1-c1ccc2nc(N)nnc2c1
InChIInChI=1S/C15H14N4/c1-9-4-3-5-10(2)14(9)11-6-7-12-13(8-11)18-19-15(16)17-12/h3-8H,1-2H3,(H2,16,17,19)
InChIKeyCFKCMVCEHGIRLA-UHFFFAOYSA-N
XLogP2.89
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-amine?
The IUPAC name of 7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-amine (CID 18455757) is 7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for 7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-amine?
The canonical SMILES for 7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-amine is Cc1cccc(C)c1-c1ccc2nc(N)nnc2c1.
What is the InChIKey of 7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-amine?
The InChIKey is CFKCMVCEHGIRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-9-4-3-5-10(2)14(9)11-6-7-12-13(8-11)18-19-15(16)17-12/h3-8H,1-2H3,(H2,16,17,19).
What are the key properties of 7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-amine?
7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-amine has a molecular weight of 250.30 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 18455757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).