Betazole hydrochloride

C5H10ClN3 — CID 16051987

IUPAC2-(1H-pyrazol-5-yl)ethanamine;hydrochloride
SMILESC1=C(NN=C1)CCN.Cl
InChIInChI=1S/C5H9N3.ClH/c6-3-1-5-2-4-7-8-5;/h2,4H,1,3,6H2,(H,7,8);1H
InChIKeyHLJRAERMLKNULP-UHFFFAOYSA-N
MW147.60 g/mol
LogP—
Rot. Bonds2

About Betazole hydrochloride

Betazole hydrochloride (PubChem CID 16051987) has the molecular formula C5H10ClN3 and a molecular weight of 147.60 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameBetazole hydrochloride
PubChem CID16051987
Molecular FormulaC5H10ClN3
Molecular Weight147.60 g/mol
Exact Mass147.06
IUPAC Name2-(1H-pyrazol-5-yl)ethanamine;hydrochloride
SMILESC1=C(NN=C1)CCN.Cl
InChIInChI=1S/C5H9N3.ClH/c6-3-1-5-2-4-7-8-5;/h2,4H,1,3,6H2,(H,7,8);1H
InChIKeyHLJRAERMLKNULP-UHFFFAOYSA-N
XLogP—
TPSA54.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity64

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Betazole hydrochloride?
The IUPAC name of Betazole hydrochloride (CID 16051987) is 2-(1H-pyrazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for Betazole hydrochloride?
The canonical SMILES for Betazole hydrochloride is C1=C(NN=C1)CCN.Cl.
What is the InChIKey of Betazole hydrochloride?
The InChIKey is HLJRAERMLKNULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.ClH/c6-3-1-5-2-4-7-8-5;/h2,4H,1,3,6H2,(H,7,8);1H.
What are the key properties of Betazole hydrochloride?
Betazole hydrochloride has a molecular weight of 147.60 g/mol, XLogP of not available, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Betazole hydrochloride is sourced from PubChem (CID 16051987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).