6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one

C6H7N3O — CID 135636708

IUPAC6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=C1CCn2nccc2N1
InChIInChI=1S/C6H7N3O/c10-6-2-4-9-5(8-6)1-3-7-9/h1,3H,2,4H2,(H,8,10)
InChIKeyJNXZEDSINKVUQD-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.23
Rot. Bonds

About 6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one

6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 135636708) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID135636708
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=C1CCn2nccc2N1
InChIInChI=1S/C6H7N3O/c10-6-2-4-9-5(8-6)1-3-7-9/h1,3H,2,4H2,(H,8,10)
InChIKeyJNXZEDSINKVUQD-UHFFFAOYSA-N
XLogP0.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 135636708) is 6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=C1CCn2nccc2N1.
What is the InChIKey of 6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is JNXZEDSINKVUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c10-6-2-4-9-5(8-6)1-3-7-9/h1,3H,2,4H2,(H,8,10).
What are the key properties of 6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one?
6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 137.14 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 135636708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).