2-(4-methylphenyl)triazolo[4,5-c]isoquinolin-5-amine

C16H13N5 — CID 71575613

IUPAC2-(4-methylphenyl)triazolo[4,5-c]isoquinolin-5-amine
SMILESCc1ccc(-n2nc3nc(N)c4ccccc4c3n2)cc1
InChIInChI=1S/C16H13N5/c1-10-6-8-11(9-7-10)21-19-14-12-4-2-3-5-13(12)15(17)18-16(14)20-21/h2-9H,1H3,(H2,17,18,20)
InChIKeyJZJFZLKCWMMDRS-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.86
Rot. Bonds1

About 2-(4-methylphenyl)triazolo[4,5-c]isoquinolin-5-amine

2-(4-methylphenyl)triazolo[4,5-c]isoquinolin-5-amine (PubChem CID 71575613) has the molecular formula C16H13N5 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-(4-methylphenyl)triazolo[4,5-c]isoquinolin-5-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)triazolo[4,5-c]isoquinolin-5-amine
PubChem CID71575613
Molecular FormulaC16H13N5
Molecular Weight275.32 g/mol
Exact Mass275.12
IUPAC Name2-(4-methylphenyl)triazolo[4,5-c]isoquinolin-5-amine
SMILESCc1ccc(-n2nc3nc(N)c4ccccc4c3n2)cc1
InChIInChI=1S/C16H13N5/c1-10-6-8-11(9-7-10)21-19-14-12-4-2-3-5-13(12)15(17)18-16(14)20-21/h2-9H,1H3,(H2,17,18,20)
InChIKeyJZJFZLKCWMMDRS-UHFFFAOYSA-N
XLogP2.86
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)triazolo[4,5-c]isoquinolin-5-amine?
The IUPAC name of 2-(4-methylphenyl)triazolo[4,5-c]isoquinolin-5-amine (CID 71575613) is 2-(4-methylphenyl)triazolo[4,5-c]isoquinolin-5-amine.
What is the SMILES notation for 2-(4-methylphenyl)triazolo[4,5-c]isoquinolin-5-amine?
The canonical SMILES for 2-(4-methylphenyl)triazolo[4,5-c]isoquinolin-5-amine is Cc1ccc(-n2nc3nc(N)c4ccccc4c3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)triazolo[4,5-c]isoquinolin-5-amine?
The InChIKey is JZJFZLKCWMMDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-10-6-8-11(9-7-10)21-19-14-12-4-2-3-5-13(12)15(17)18-16(14)20-21/h2-9H,1H3,(H2,17,18,20).
What are the key properties of 2-(4-methylphenyl)triazolo[4,5-c]isoquinolin-5-amine?
2-(4-methylphenyl)triazolo[4,5-c]isoquinolin-5-amine has a molecular weight of 275.32 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)triazolo[4,5-c]isoquinolin-5-amine is sourced from PubChem (CID 71575613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).