6-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrobromide

C6H7BrN4O — CID 154832824

IUPAC6-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrobromide
SMILESBr.Nc1cnc2cc[nH]n2c1=O
InChIInChI=1S/C6H6N4O.BrH/c7-4-3-8-5-1-2-9-10(5)6(4)11;/h1-3,9H,7H2;1H
InChIKeyFWSIECFGOWYELK-UHFFFAOYSA-N
MW231.05 g/mol
LogP0.18
Rot. Bonds

About 6-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrobromide

6-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrobromide (PubChem CID 154832824) has the molecular formula C6H7BrN4O and a molecular weight of 231.05 g/mol. Its IUPAC name is 6-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrobromide.

Molecular Properties

Compound Name6-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrobromide
PubChem CID154832824
Molecular FormulaC6H7BrN4O
Molecular Weight231.05 g/mol
Exact Mass229.98
IUPAC Name6-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrobromide
SMILESBr.Nc1cnc2cc[nH]n2c1=O
InChIInChI=1S/C6H6N4O.BrH/c7-4-3-8-5-1-2-9-10(5)6(4)11;/h1-3,9H,7H2;1H
InChIKeyFWSIECFGOWYELK-UHFFFAOYSA-N
XLogP0.18
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrobromide?
The IUPAC name of 6-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrobromide (CID 154832824) is 6-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrobromide.
What is the SMILES notation for 6-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrobromide?
The canonical SMILES for 6-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrobromide is Br.Nc1cnc2cc[nH]n2c1=O.
What is the InChIKey of 6-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrobromide?
The InChIKey is FWSIECFGOWYELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O.BrH/c7-4-3-8-5-1-2-9-10(5)6(4)11;/h1-3,9H,7H2;1H.
What are the key properties of 6-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrobromide?
6-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrobromide has a molecular weight of 231.05 g/mol, XLogP of 0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrobromide is sourced from PubChem (CID 154832824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).