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

C6H6N4O — CID 118167245

IUPAC2-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNc1cc2nccc(=O)n2[nH]1
InChIInChI=1S/C6H6N4O/c7-4-3-5-8-2-1-6(11)10(5)9-4/h1-3,9H,7H2
InChIKeySWNPRXCXMWUCFN-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.40
Rot. Bonds

About 2-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 118167245) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 2-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID118167245
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name2-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNc1cc2nccc(=O)n2[nH]1
InChIInChI=1S/C6H6N4O/c7-4-3-5-8-2-1-6(11)10(5)9-4/h1-3,9H,7H2
InChIKeySWNPRXCXMWUCFN-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 2-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 118167245) is 2-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one is Nc1cc2nccc(=O)n2[nH]1.
What is the InChIKey of 2-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SWNPRXCXMWUCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c7-4-3-5-8-2-1-6(11)10(5)9-4/h1-3,9H,7H2.
What are the key properties of 2-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-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 2-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 118167245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).