(7R)-7-methyl-4-phenyl-6,7-dihydrotriazolo[1,5-d][1,2,4]triazine

C11H11N5 — CID 135884415

IUPAC(7R)-7-methyl-4-phenyl-6,7-dihydrotriazolo[1,5-d][1,2,4]triazine
SMILESC[C@@H]1NN=C(c2ccccc2)c2cnnn21
InChIInChI=1S/C11H11N5/c1-8-13-14-11(9-5-3-2-4-6-9)10-7-12-15-16(8)10/h2-8,13H,1H3/t8-/m1/s1
InChIKeyMUBGVHDDZNYACZ-MRVPVSSYSA-N
MW213.24 g/mol
LogP1.15
Rot. Bonds1

About (7R)-7-methyl-4-phenyl-6,7-dihydrotriazolo[1,5-d][1,2,4]triazine

(7R)-7-methyl-4-phenyl-6,7-dihydrotriazolo[1,5-d][1,2,4]triazine (PubChem CID 135884415) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is (7R)-7-methyl-4-phenyl-6,7-dihydrotriazolo[1,5-d][1,2,4]triazine.

Molecular Properties

Compound Name(7R)-7-methyl-4-phenyl-6,7-dihydrotriazolo[1,5-d][1,2,4]triazine
PubChem CID135884415
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name(7R)-7-methyl-4-phenyl-6,7-dihydrotriazolo[1,5-d][1,2,4]triazine
SMILESC[C@@H]1NN=C(c2ccccc2)c2cnnn21
InChIInChI=1S/C11H11N5/c1-8-13-14-11(9-5-3-2-4-6-9)10-7-12-15-16(8)10/h2-8,13H,1H3/t8-/m1/s1
InChIKeyMUBGVHDDZNYACZ-MRVPVSSYSA-N
XLogP1.15
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7R)-7-methyl-4-phenyl-6,7-dihydrotriazolo[1,5-d][1,2,4]triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7R)-7-methyl-4-phenyl-6,7-dihydrotriazolo[1,5-d][1,2,4]triazine?
The IUPAC name of (7R)-7-methyl-4-phenyl-6,7-dihydrotriazolo[1,5-d][1,2,4]triazine (CID 135884415) is (7R)-7-methyl-4-phenyl-6,7-dihydrotriazolo[1,5-d][1,2,4]triazine.
What is the SMILES notation for (7R)-7-methyl-4-phenyl-6,7-dihydrotriazolo[1,5-d][1,2,4]triazine?
The canonical SMILES for (7R)-7-methyl-4-phenyl-6,7-dihydrotriazolo[1,5-d][1,2,4]triazine is C[C@@H]1NN=C(c2ccccc2)c2cnnn21.
What is the InChIKey of (7R)-7-methyl-4-phenyl-6,7-dihydrotriazolo[1,5-d][1,2,4]triazine?
The InChIKey is MUBGVHDDZNYACZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11N5/c1-8-13-14-11(9-5-3-2-4-6-9)10-7-12-15-16(8)10/h2-8,13H,1H3/t8-/m1/s1.
What are the key properties of (7R)-7-methyl-4-phenyl-6,7-dihydrotriazolo[1,5-d][1,2,4]triazine?
(7R)-7-methyl-4-phenyl-6,7-dihydrotriazolo[1,5-d][1,2,4]triazine has a molecular weight of 213.24 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-methyl-4-phenyl-6,7-dihydrotriazolo[1,5-d][1,2,4]triazine is sourced from PubChem (CID 135884415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).