3-(4-methoxyphenyl)-1,2,4-benzotriazine

C14H11N3O — CID 12759619

IUPAC3-(4-methoxyphenyl)-1,2,4-benzotriazine
SMILESCOc1ccc(-c2nnc3ccccc3n2)cc1
InChIInChI=1S/C14H11N3O/c1-18-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)16-17-14/h2-9H,1H3
InChIKeyDRVAQMPQCZLYGO-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.70
Rot. Bonds2

About 3-(4-methoxyphenyl)-1,2,4-benzotriazine

3-(4-methoxyphenyl)-1,2,4-benzotriazine (PubChem CID 12759619) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1,2,4-benzotriazine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1,2,4-benzotriazine
PubChem CID12759619
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name3-(4-methoxyphenyl)-1,2,4-benzotriazine
SMILESCOc1ccc(-c2nnc3ccccc3n2)cc1
InChIInChI=1S/C14H11N3O/c1-18-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)16-17-14/h2-9H,1H3
InChIKeyDRVAQMPQCZLYGO-UHFFFAOYSA-N
XLogP2.70
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-1,2,4-benzotriazine 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-(4-methoxyphenyl)-4-methylquinazoline
CID 15566164
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
N,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963147
6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
1-(4-methoxyphenyl)phenazine;hydroiodide
CID 173398535
3-thiophen-3-yl-1,2,4-benzotriazine
CID 54072870
2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol
CID 142176460
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline
CID 731359
2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline
CID 129060956
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1,2,4-benzotriazine?
The IUPAC name of 3-(4-methoxyphenyl)-1,2,4-benzotriazine (CID 12759619) is 3-(4-methoxyphenyl)-1,2,4-benzotriazine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1,2,4-benzotriazine?
The canonical SMILES for 3-(4-methoxyphenyl)-1,2,4-benzotriazine is COc1ccc(-c2nnc3ccccc3n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1,2,4-benzotriazine?
The InChIKey is DRVAQMPQCZLYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-18-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)16-17-14/h2-9H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1,2,4-benzotriazine?
3-(4-methoxyphenyl)-1,2,4-benzotriazine has a molecular weight of 237.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1,2,4-benzotriazine is sourced from PubChem (CID 12759619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).