3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine

C15H14N4 — CID 103144312

IUPAC3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine
SMILESCc1nc(N)c(-c2cccc3ccncc23)nc1C
InChIInChI=1S/C15H14N4/c1-9-10(2)19-15(16)14(18-9)12-5-3-4-11-6-7-17-8-13(11)12/h3-8H,1-2H3,(H2,16,19)
InChIKeyVIOIHLXCRVEXFW-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.89
Rot. Bonds1

About 3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine

3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine (PubChem CID 103144312) has the molecular formula C15H14N4 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound Name3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine
PubChem CID103144312
Molecular FormulaC15H14N4
Molecular Weight250.30 g/mol
Exact Mass250.12
IUPAC Name3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine
SMILESCc1nc(N)c(-c2cccc3ccncc23)nc1C
InChIInChI=1S/C15H14N4/c1-9-10(2)19-15(16)14(18-9)12-5-3-4-11-6-7-17-8-13(11)12/h3-8H,1-2H3,(H2,16,19)
InChIKeyVIOIHLXCRVEXFW-UHFFFAOYSA-N
XLogP2.89
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine?
The IUPAC name of 3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine (CID 103144312) is 3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for 3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for 3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine is Cc1nc(N)c(-c2cccc3ccncc23)nc1C.
What is the InChIKey of 3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine?
The InChIKey is VIOIHLXCRVEXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-9-10(2)19-15(16)14(18-9)12-5-3-4-11-6-7-17-8-13(11)12/h3-8H,1-2H3,(H2,16,19).
What are the key properties of 3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine?
3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine has a molecular weight of 250.30 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 103144312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).