9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide

C12H8N8O2 — CID 12724804

IUPAC9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cc2nc3ccccc3c(=O)n2[nH]1
InChIInChI=1S/C12H8N8O2/c21-10(14-12-15-18-19-16-12)8-5-9-13-7-4-2-1-3-6(7)11(22)20(9)17-8/h1-5,17H,(H2,14,15,16,18,19,21)
InChIKeyDBUNLRAEQLQZGB-UHFFFAOYSA-N
MW296.25 g/mol
LogP-0.06
Rot. Bonds2

About 9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide

9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide (PubChem CID 12724804) has the molecular formula C12H8N8O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide.

Molecular Properties

Compound Name9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide
PubChem CID12724804
Molecular FormulaC12H8N8O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cc2nc3ccccc3c(=O)n2[nH]1
InChIInChI=1S/C12H8N8O2/c21-10(14-12-15-18-19-16-12)8-5-9-13-7-4-2-1-3-6(7)11(22)20(9)17-8/h1-5,17H,(H2,14,15,16,18,19,21)
InChIKeyDBUNLRAEQLQZGB-UHFFFAOYSA-N
XLogP-0.06
TPSA133.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide?
The IUPAC name of 9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide (CID 12724804) is 9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide.
What is the SMILES notation for 9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide?
The canonical SMILES for 9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide is O=C(Nc1nn[nH]n1)c1cc2nc3ccccc3c(=O)n2[nH]1.
What is the InChIKey of 9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide?
The InChIKey is DBUNLRAEQLQZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N8O2/c21-10(14-12-15-18-19-16-12)8-5-9-13-7-4-2-1-3-6(7)11(22)20(9)17-8/h1-5,17H,(H2,14,15,16,18,19,21).
What are the key properties of 9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide?
9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide has a molecular weight of 296.25 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide is sourced from PubChem (CID 12724804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).