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

C6H6N4O — CID 135670829

IUPAC7-amino-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESNc1cc(=O)[nH]c2ccnn12
InChIInChI=1S/C6H6N4O/c7-4-3-6(11)9-5-1-2-8-10(4)5/h1-3H,7H2,(H,9,11)
InChIKeyQSGSNGVHVWEZRN-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.40
Rot. Bonds

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

7-amino-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 135670829) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 7-amino-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-amino-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID135670829
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name7-amino-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESNc1cc(=O)[nH]c2ccnn12
InChIInChI=1S/C6H6N4O/c7-4-3-6(11)9-5-1-2-8-10(4)5/h1-3H,7H2,(H,9,11)
InChIKeyQSGSNGVHVWEZRN-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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Related Compounds

Pyrazolo[1,5-A]pyrimidine-5,7-diol
CID 135743546
Pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one
CID 135399047
3-Chloropyrazolo[1,5-a]pyrimidine-5,7-diol
CID 136504200
3-Bromo-7-hydroxypyrazolo[1,5-a]pyrimidin-5(4H)-one
CID 136325405
4-Ethylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 12212134
4-Methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 12726139
Pyrazolo[1,5-a][1,3,5]triazine-2,4-diol
CID 135590577
N-(1-ethyl-1H-pyrazol-3-yl)acetamide
CID 68075151
Pyrazolo[1,5-a]pyrimidin-5(1H)-one
CID 135513288
4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidin-5-one
CID 135636708
7-Methylpyrazolo(1,5-a)pyrimidin-5-ol
CID 135646606
5-Oxo-4,5-dihydropyrazolo(1,5-a)pyrimidine-3-carbonitrile
CID 136249061

Frequently Asked Questions

What is the IUPAC name of 7-amino-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-amino-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 135670829) is 7-amino-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-amino-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-amino-4H-pyrazolo[1,5-a]pyrimidin-5-one is Nc1cc(=O)[nH]c2ccnn12.
What is the InChIKey of 7-amino-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is QSGSNGVHVWEZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c7-4-3-6(11)9-5-1-2-8-10(4)5/h1-3H,7H2,(H,9,11).
What are the key properties of 7-amino-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-amino-4H-pyrazolo[1,5-a]pyrimidin-5-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 7-amino-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 135670829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).