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

C6H7ClN4O — CID 18692774

IUPAC3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
SMILESCl.Nc1c[nH]n2c(=O)ccnc12
InChIInChI=1S/C6H6N4O.ClH/c7-4-3-9-10-5(11)1-2-8-6(4)10;/h1-3,9H,7H2;1H
InChIKeyPMDKDNRQAFHQMY-UHFFFAOYSA-N
MW186.60 g/mol
LogP0.03
Rot. Bonds

About 3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride

3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride (PubChem CID 18692774) has the molecular formula C6H7ClN4O and a molecular weight of 186.60 g/mol. Its IUPAC name is 3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
PubChem CID18692774
Molecular FormulaC6H7ClN4O
Molecular Weight186.60 g/mol
Exact Mass186.03
IUPAC Name3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
SMILESCl.Nc1c[nH]n2c(=O)ccnc12
InChIInChI=1S/C6H6N4O.ClH/c7-4-3-9-10-5(11)1-2-8-6(4)10;/h1-3,9H,7H2;1H
InChIKeyPMDKDNRQAFHQMY-UHFFFAOYSA-N
XLogP0.03
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The IUPAC name of 3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride (CID 18692774) is 3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride.
What is the SMILES notation for 3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The canonical SMILES for 3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride is Cl.Nc1c[nH]n2c(=O)ccnc12.
What is the InChIKey of 3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The InChIKey is PMDKDNRQAFHQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O.ClH/c7-4-3-9-10-5(11)1-2-8-6(4)10;/h1-3,9H,7H2;1H.
What are the key properties of 3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride has a molecular weight of 186.60 g/mol, XLogP of 0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride is sourced from PubChem (CID 18692774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).