pyrazolo[1,5-a]pyrimidin-5-amine

C6H6N4 — CID 55285819

IUPACpyrazolo[1,5-a]pyrimidin-5-amine
SMILESNc1ccn2nccc2n1
InChIInChI=1S/C6H6N4/c7-5-2-4-10-6(9-5)1-3-8-10/h1-4H,(H2,7,9)
InChIKeyMIBPJQNRFGOOTH-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.31
Rot. Bonds

About pyrazolo[1,5-a]pyrimidin-5-amine

pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 55285819) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID55285819
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Namepyrazolo[1,5-a]pyrimidin-5-amine
SMILESNc1ccn2nccc2n1
InChIInChI=1S/C6H6N4/c7-5-2-4-10-6(9-5)1-3-8-10/h1-4H,(H2,7,9)
InChIKeyMIBPJQNRFGOOTH-UHFFFAOYSA-N
XLogP0.31
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of pyrazolo[1,5-a]pyrimidin-5-amine (CID 55285819) is pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for pyrazolo[1,5-a]pyrimidin-5-amine is Nc1ccn2nccc2n1.
What is the InChIKey of pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is MIBPJQNRFGOOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c7-5-2-4-10-6(9-5)1-3-8-10/h1-4H,(H2,7,9).
What are the key properties of pyrazolo[1,5-a]pyrimidin-5-amine?
pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 134.14 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 55285819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).