1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea

C15H10N6O — CID 45266971

IUPAC1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea
SMILESN#Cc1cnc(NC(=O)Nc2cc3ccccc3cn2)cn1
InChIInChI=1S/C15H10N6O/c16-6-12-8-19-14(9-17-12)21-15(22)20-13-5-10-3-1-2-4-11(10)7-18-13/h1-5,7-9H,(H2,18,19,20,21,22)
InChIKeyGFPBJOCJVKFSBK-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.54
Rot. Bonds2

About 1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea

1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea (PubChem CID 45266971) has the molecular formula C15H10N6O and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea.

Molecular Properties

Compound Name1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea
PubChem CID45266971
Molecular FormulaC15H10N6O
Molecular Weight290.29 g/mol
Exact Mass290.09
IUPAC Name1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea
SMILESN#Cc1cnc(NC(=O)Nc2cc3ccccc3cn2)cn1
InChIInChI=1S/C15H10N6O/c16-6-12-8-19-14(9-17-12)21-15(22)20-13-5-10-3-1-2-4-11(10)7-18-13/h1-5,7-9H,(H2,18,19,20,21,22)
InChIKeyGFPBJOCJVKFSBK-UHFFFAOYSA-N
XLogP2.54
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea?
The IUPAC name of 1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea (CID 45266971) is 1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea.
What is the SMILES notation for 1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea?
The canonical SMILES for 1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea is N#Cc1cnc(NC(=O)Nc2cc3ccccc3cn2)cn1.
What is the InChIKey of 1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea?
The InChIKey is GFPBJOCJVKFSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O/c16-6-12-8-19-14(9-17-12)21-15(22)20-13-5-10-3-1-2-4-11(10)7-18-13/h1-5,7-9H,(H2,18,19,20,21,22).
What are the key properties of 1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea?
1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea has a molecular weight of 290.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea is sourced from PubChem (CID 45266971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).