pyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride

C6H7ClN4 — CID 21192070

IUPACpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride
SMILESCl.Nc1cnn2cccnc12
InChIInChI=1S/C6H6N4.ClH/c7-5-4-9-10-3-1-2-8-6(5)10;/h1-4H,7H2;1H
InChIKeyPGNSOXCLGYNNJA-UHFFFAOYSA-N
MW170.60 g/mol
LogP0.73
Rot. Bonds

About pyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride

pyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride (PubChem CID 21192070) has the molecular formula C6H7ClN4 and a molecular weight of 170.60 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride
PubChem CID21192070
Molecular FormulaC6H7ClN4
Molecular Weight170.60 g/mol
Exact Mass170.04
IUPAC Namepyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride
SMILESCl.Nc1cnn2cccnc12
InChIInChI=1S/C6H6N4.ClH/c7-5-4-9-10-3-1-2-8-6(5)10;/h1-4H,7H2;1H
InChIKeyPGNSOXCLGYNNJA-UHFFFAOYSA-N
XLogP0.73
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 50.73
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-3-amine;hydrochloride?
The IUPAC name of pyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride (CID 21192070) is pyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride.
What is the SMILES notation for pyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride?
The canonical SMILES for pyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride is Cl.Nc1cnn2cccnc12.
What is the InChIKey of pyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride?
The InChIKey is PGNSOXCLGYNNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4.ClH/c7-5-4-9-10-3-1-2-8-6(5)10;/h1-4H,7H2;1H.
What are the key properties of pyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride?
pyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride has a molecular weight of 170.60 g/mol, XLogP of 0.73, 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-3-amine;hydrochloride is sourced from PubChem (CID 21192070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).