1-isoquinolin-8-ylimidazol-2-amine

C12H10N4 — CID 106577064

IUPAC1-isoquinolin-8-ylimidazol-2-amine
SMILESNc1nccn1-c1cccc2ccncc12
InChIInChI=1S/C12H10N4/c13-12-15-6-7-16(12)11-3-1-2-9-4-5-14-8-10(9)11/h1-8H,(H2,13,15)
InChIKeyLRWQFYVSOJOEPV-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.00
Rot. Bonds1

About 1-isoquinolin-8-ylimidazol-2-amine

1-isoquinolin-8-ylimidazol-2-amine (PubChem CID 106577064) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-isoquinolin-8-ylimidazol-2-amine.

Molecular Properties

Compound Name1-isoquinolin-8-ylimidazol-2-amine
PubChem CID106577064
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name1-isoquinolin-8-ylimidazol-2-amine
SMILESNc1nccn1-c1cccc2ccncc12
InChIInChI=1S/C12H10N4/c13-12-15-6-7-16(12)11-3-1-2-9-4-5-14-8-10(9)11/h1-8H,(H2,13,15)
InChIKeyLRWQFYVSOJOEPV-UHFFFAOYSA-N
XLogP2.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-ylimidazol-2-amine?
The IUPAC name of 1-isoquinolin-8-ylimidazol-2-amine (CID 106577064) is 1-isoquinolin-8-ylimidazol-2-amine.
What is the SMILES notation for 1-isoquinolin-8-ylimidazol-2-amine?
The canonical SMILES for 1-isoquinolin-8-ylimidazol-2-amine is Nc1nccn1-c1cccc2ccncc12.
What is the InChIKey of 1-isoquinolin-8-ylimidazol-2-amine?
The InChIKey is LRWQFYVSOJOEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-12-15-6-7-16(12)11-3-1-2-9-4-5-14-8-10(9)11/h1-8H,(H2,13,15).
What are the key properties of 1-isoquinolin-8-ylimidazol-2-amine?
1-isoquinolin-8-ylimidazol-2-amine has a molecular weight of 210.24 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-ylimidazol-2-amine is sourced from PubChem (CID 106577064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).