N-pyrazin-2-ylisoquinolin-1-amine

C13H10N4 — CID 66836772

IUPACN-pyrazin-2-ylisoquinolin-1-amine
SMILESc1ccc2c(Nc3cnccn3)nccc2c1
InChIInChI=1S/C13H10N4/c1-2-4-11-10(3-1)5-6-16-13(11)17-12-9-14-7-8-15-12/h1-9H,(H,15,16,17)
InChIKeyYGWMLNUDJRSIOV-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.77
Rot. Bonds2

About N-pyrazin-2-ylisoquinolin-1-amine

N-pyrazin-2-ylisoquinolin-1-amine (PubChem CID 66836772) has the molecular formula C13H10N4 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-pyrazin-2-ylisoquinolin-1-amine.

Molecular Properties

Compound NameN-pyrazin-2-ylisoquinolin-1-amine
PubChem CID66836772
Molecular FormulaC13H10N4
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC NameN-pyrazin-2-ylisoquinolin-1-amine
SMILESc1ccc2c(Nc3cnccn3)nccc2c1
InChIInChI=1S/C13H10N4/c1-2-4-11-10(3-1)5-6-16-13(11)17-12-9-14-7-8-15-12/h1-9H,(H,15,16,17)
InChIKeyYGWMLNUDJRSIOV-UHFFFAOYSA-N
XLogP2.77
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-pyrazin-2-ylisoquinolin-1-amine 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 N-pyrazin-2-ylisoquinolin-1-amine?
The IUPAC name of N-pyrazin-2-ylisoquinolin-1-amine (CID 66836772) is N-pyrazin-2-ylisoquinolin-1-amine.
What is the SMILES notation for N-pyrazin-2-ylisoquinolin-1-amine?
The canonical SMILES for N-pyrazin-2-ylisoquinolin-1-amine is c1ccc2c(Nc3cnccn3)nccc2c1.
What is the InChIKey of N-pyrazin-2-ylisoquinolin-1-amine?
The InChIKey is YGWMLNUDJRSIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4/c1-2-4-11-10(3-1)5-6-16-13(11)17-12-9-14-7-8-15-12/h1-9H,(H,15,16,17).
What are the key properties of N-pyrazin-2-ylisoquinolin-1-amine?
N-pyrazin-2-ylisoquinolin-1-amine has a molecular weight of 222.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-2-ylisoquinolin-1-amine is sourced from PubChem (CID 66836772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).