5-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one

C6H6N4O — CID 13396556

IUPAC5-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C6H6N4O/c7-4-3-6(11)10-5(9-4)1-2-8-10/h1-3,8H,7H2
InChIKeyRSNQDTNZMPRNEL-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.40
Rot. Bonds

About 5-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 13396556) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 5-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID13396556
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name5-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C6H6N4O/c7-4-3-6(11)10-5(9-4)1-2-8-10/h1-3,8H,7H2
InChIKeyRSNQDTNZMPRNEL-UHFFFAOYSA-N
XLogP-0.40
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 13396556) is 5-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one is Nc1cc(=O)n2[nH]ccc2n1.
What is the InChIKey of 5-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RSNQDTNZMPRNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c7-4-3-6(11)10-5(9-4)1-2-8-10/h1-3,8H,7H2.
What are the key properties of 5-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 150.14 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 13396556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).