(1S)-1-[6-(3-methylphenyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl]ethanamine

C13H14N6 — CID 82381197

IUPAC(1S)-1-[6-(3-methylphenyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl]ethanamine
SMILESCc1cccc(-c2nc([C@H](C)N)c3nncn3n2)c1
InChIInChI=1S/C13H14N6/c1-8-4-3-5-10(6-8)12-16-11(9(2)14)13-17-15-7-19(13)18-12/h3-7,9H,14H2,1-2H3/t9-/m0/s1
InChIKeyHGHZNTPMHCKLBI-VIFPVBQESA-N
MW254.30 g/mol
LogP1.51
Rot. Bonds2

About (1S)-1-[6-(3-methylphenyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl]ethanamine

(1S)-1-[6-(3-methylphenyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl]ethanamine (PubChem CID 82381197) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is (1S)-1-[6-(3-methylphenyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[6-(3-methylphenyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl]ethanamine
PubChem CID82381197
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name(1S)-1-[6-(3-methylphenyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl]ethanamine
SMILESCc1cccc(-c2nc([C@H](C)N)c3nncn3n2)c1
InChIInChI=1S/C13H14N6/c1-8-4-3-5-10(6-8)12-16-11(9(2)14)13-17-15-7-19(13)18-12/h3-7,9H,14H2,1-2H3/t9-/m0/s1
InChIKeyHGHZNTPMHCKLBI-VIFPVBQESA-N
XLogP1.51
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-1-[6-(3-methylphenyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl]ethanamine 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 (1S)-1-[6-(3-methylphenyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl]ethanamine?
The IUPAC name of (1S)-1-[6-(3-methylphenyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl]ethanamine (CID 82381197) is (1S)-1-[6-(3-methylphenyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl]ethanamine.
What is the SMILES notation for (1S)-1-[6-(3-methylphenyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl]ethanamine?
The canonical SMILES for (1S)-1-[6-(3-methylphenyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl]ethanamine is Cc1cccc(-c2nc([C@H](C)N)c3nncn3n2)c1.
What is the InChIKey of (1S)-1-[6-(3-methylphenyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl]ethanamine?
The InChIKey is HGHZNTPMHCKLBI-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14N6/c1-8-4-3-5-10(6-8)12-16-11(9(2)14)13-17-15-7-19(13)18-12/h3-7,9H,14H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[6-(3-methylphenyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl]ethanamine?
(1S)-1-[6-(3-methylphenyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl]ethanamine has a molecular weight of 254.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-(3-methylphenyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl]ethanamine is sourced from PubChem (CID 82381197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).