5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one

C10H11N3O — CID 63822993

IUPAC5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESO=c1c2c(nc3cc[nH]n13)CCCC2
InChIInChI=1S/C10H11N3O/c14-10-7-3-1-2-4-8(7)12-9-5-6-11-13(9)10/h5-6,11H,1-4H2
InChIKeyVAUKCSYIHXJTBV-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.90
Rot. Bonds

About 5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one

5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (PubChem CID 63822993) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
PubChem CID63822993
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESO=c1c2c(nc3cc[nH]n13)CCCC2
InChIInChI=1S/C10H11N3O/c14-10-7-3-1-2-4-8(7)12-9-5-6-11-13(9)10/h5-6,11H,1-4H2
InChIKeyVAUKCSYIHXJTBV-UHFFFAOYSA-N
XLogP0.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The IUPAC name of 5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (CID 63822993) is 5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.
What is the SMILES notation for 5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The canonical SMILES for 5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is O=c1c2c(nc3cc[nH]n13)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The InChIKey is VAUKCSYIHXJTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c14-10-7-3-1-2-4-8(7)12-9-5-6-11-13(9)10/h5-6,11H,1-4H2.
What are the key properties of 5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one has a molecular weight of 189.22 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 63822993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).