5-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-amine

C17H14N4 — CID 70454579

IUPAC5-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-amine
SMILESCc1ccccc1-c1cc2nncn2c2ccc(N)cc12
InChIInChI=1S/C17H14N4/c1-11-4-2-3-5-13(11)14-9-17-20-19-10-21(17)16-7-6-12(18)8-15(14)16/h2-10H,18H2,1H3
InChIKeyDTPJIRSACBFDQU-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.44
Rot. Bonds1

About 5-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-amine

5-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-amine (PubChem CID 70454579) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-amine.

Molecular Properties

Compound Name5-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-amine
PubChem CID70454579
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name5-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-amine
SMILESCc1ccccc1-c1cc2nncn2c2ccc(N)cc12
InChIInChI=1S/C17H14N4/c1-11-4-2-3-5-13(11)14-9-17-20-19-10-21(17)16-7-6-12(18)8-15(14)16/h2-10H,18H2,1H3
InChIKeyDTPJIRSACBFDQU-UHFFFAOYSA-N
XLogP3.44
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-amine?
The IUPAC name of 5-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-amine (CID 70454579) is 5-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-amine.
What is the SMILES notation for 5-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-amine?
The canonical SMILES for 5-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-amine is Cc1ccccc1-c1cc2nncn2c2ccc(N)cc12.
What is the InChIKey of 5-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-amine?
The InChIKey is DTPJIRSACBFDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-11-4-2-3-5-13(11)14-9-17-20-19-10-21(17)16-7-6-12(18)8-15(14)16/h2-10H,18H2,1H3.
What are the key properties of 5-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-amine?
5-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-amine has a molecular weight of 274.33 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-amine is sourced from PubChem (CID 70454579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).