5-methoxy-2-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one

C12H9N7O2 — CID 12724801

IUPAC5-methoxy-2-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESCOc1cccc2c(=O)n3[nH]c(-c4nn[nH]n4)cc3nc12
InChIInChI=1S/C12H9N7O2/c1-21-8-4-2-3-6-10(8)13-9-5-7(11-14-17-18-15-11)16-19(9)12(6)20/h2-5,16H,1H3,(H,14,15,17,18)
InChIKeyUHXHMUPQGQALFG-UHFFFAOYSA-N
MW283.25 g/mol
LogP0.36
Rot. Bonds2

About 5-methoxy-2-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one

5-methoxy-2-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one (PubChem CID 12724801) has the molecular formula C12H9N7O2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 5-methoxy-2-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one.

Molecular Properties

Compound Name5-methoxy-2-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one
PubChem CID12724801
Molecular FormulaC12H9N7O2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name5-methoxy-2-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESCOc1cccc2c(=O)n3[nH]c(-c4nn[nH]n4)cc3nc12
InChIInChI=1S/C12H9N7O2/c1-21-8-4-2-3-6-10(8)13-9-5-7(11-14-17-18-15-11)16-19(9)12(6)20/h2-5,16H,1H3,(H,14,15,17,18)
InChIKeyUHXHMUPQGQALFG-UHFFFAOYSA-N
XLogP0.36
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one?
The IUPAC name of 5-methoxy-2-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one (CID 12724801) is 5-methoxy-2-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one.
What is the SMILES notation for 5-methoxy-2-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one?
The canonical SMILES for 5-methoxy-2-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one is COc1cccc2c(=O)n3[nH]c(-c4nn[nH]n4)cc3nc12.
What is the InChIKey of 5-methoxy-2-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one?
The InChIKey is UHXHMUPQGQALFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N7O2/c1-21-8-4-2-3-6-10(8)13-9-5-7(11-14-17-18-15-11)16-19(9)12(6)20/h2-5,16H,1H3,(H,14,15,17,18).
What are the key properties of 5-methoxy-2-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one?
5-methoxy-2-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one has a molecular weight of 283.25 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 12724801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).