9-hydroxy-11-oxo-N-pyrazin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

C16H12N4O3 — CID 54676972

IUPAC9-hydroxy-11-oxo-N-pyrazin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
SMILESO=C(Nc1cnccn1)c1c(O)c2cccc3c2n(c1=O)CC3
InChIInChI=1S/C16H12N4O3/c21-14-10-3-1-2-9-4-7-20(13(9)10)16(23)12(14)15(22)19-11-8-17-5-6-18-11/h1-3,5-6,8,21H,4,7H2,(H,18,19,22)
InChIKeyZFWHAMXMNVEUBX-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.31
Rot. Bonds2

About 9-hydroxy-11-oxo-N-pyrazin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

9-hydroxy-11-oxo-N-pyrazin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide (PubChem CID 54676972) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 9-hydroxy-11-oxo-N-pyrazin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide.

Molecular Properties

Compound Name9-hydroxy-11-oxo-N-pyrazin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
PubChem CID54676972
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Name9-hydroxy-11-oxo-N-pyrazin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
SMILESO=C(Nc1cnccn1)c1c(O)c2cccc3c2n(c1=O)CC3
InChIInChI=1S/C16H12N4O3/c21-14-10-3-1-2-9-4-7-20(13(9)10)16(23)12(14)15(22)19-11-8-17-5-6-18-11/h1-3,5-6,8,21H,4,7H2,(H,18,19,22)
InChIKeyZFWHAMXMNVEUBX-UHFFFAOYSA-N
XLogP1.31
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-11-oxo-N-pyrazin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The IUPAC name of 9-hydroxy-11-oxo-N-pyrazin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide (CID 54676972) is 9-hydroxy-11-oxo-N-pyrazin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide.
What is the SMILES notation for 9-hydroxy-11-oxo-N-pyrazin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The canonical SMILES for 9-hydroxy-11-oxo-N-pyrazin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide is O=C(Nc1cnccn1)c1c(O)c2cccc3c2n(c1=O)CC3.
What is the InChIKey of 9-hydroxy-11-oxo-N-pyrazin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The InChIKey is ZFWHAMXMNVEUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c21-14-10-3-1-2-9-4-7-20(13(9)10)16(23)12(14)15(22)19-11-8-17-5-6-18-11/h1-3,5-6,8,21H,4,7H2,(H,18,19,22).
What are the key properties of 9-hydroxy-11-oxo-N-pyrazin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
9-hydroxy-11-oxo-N-pyrazin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-11-oxo-N-pyrazin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide is sourced from PubChem (CID 54676972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).