6-methyl-4-phenyl-1,2,3-benzotriazine

C14H11N3 — CID 1216341

IUPAC6-methyl-4-phenyl-1,2,3-benzotriazine
SMILESCc1ccc2nnnc(-c3ccccc3)c2c1
InChIInChI=1S/C14H11N3/c1-10-7-8-13-12(9-10)14(16-17-15-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyULRKGQCGNFRYFP-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.00
Rot. Bonds1

About 6-methyl-4-phenyl-1,2,3-benzotriazine

6-methyl-4-phenyl-1,2,3-benzotriazine (PubChem CID 1216341) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-methyl-4-phenyl-1,2,3-benzotriazine.

Molecular Properties

Compound Name6-methyl-4-phenyl-1,2,3-benzotriazine
PubChem CID1216341
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name6-methyl-4-phenyl-1,2,3-benzotriazine
SMILESCc1ccc2nnnc(-c3ccccc3)c2c1
InChIInChI=1S/C14H11N3/c1-10-7-8-13-12(9-10)14(16-17-15-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyULRKGQCGNFRYFP-UHFFFAOYSA-N
XLogP3.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-phenyl-1,2,3-benzotriazine?
The IUPAC name of 6-methyl-4-phenyl-1,2,3-benzotriazine (CID 1216341) is 6-methyl-4-phenyl-1,2,3-benzotriazine.
What is the SMILES notation for 6-methyl-4-phenyl-1,2,3-benzotriazine?
The canonical SMILES for 6-methyl-4-phenyl-1,2,3-benzotriazine is Cc1ccc2nnnc(-c3ccccc3)c2c1.
What is the InChIKey of 6-methyl-4-phenyl-1,2,3-benzotriazine?
The InChIKey is ULRKGQCGNFRYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c1-10-7-8-13-12(9-10)14(16-17-15-13)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 6-methyl-4-phenyl-1,2,3-benzotriazine?
6-methyl-4-phenyl-1,2,3-benzotriazine has a molecular weight of 221.26 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-phenyl-1,2,3-benzotriazine is sourced from PubChem (CID 1216341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).