3-(aminomethyl)-1H-pyrazin-2-one;hydrochloride

C5H8ClN3O — CID 122360201

IUPAC3-(aminomethyl)-1H-pyrazin-2-one;hydrochloride
SMILESCl.NCc1ncc[nH]c1=O
InChIInChI=1S/C5H7N3O.ClH/c6-3-4-5(9)8-2-1-7-4;/h1-2H,3,6H2,(H,8,9);1H
InChIKeyRHBMSRUREZABCM-UHFFFAOYSA-N
MW161.59 g/mol
LogP-0.35
Rot. Bonds1

About 3-(aminomethyl)-1H-pyrazin-2-one;hydrochloride

3-(aminomethyl)-1H-pyrazin-2-one;hydrochloride (PubChem CID 122360201) has the molecular formula C5H8ClN3O and a molecular weight of 161.59 g/mol. Its IUPAC name is 3-(aminomethyl)-1H-pyrazin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-1H-pyrazin-2-one;hydrochloride
PubChem CID122360201
Molecular FormulaC5H8ClN3O
Molecular Weight161.59 g/mol
Exact Mass161.04
IUPAC Name3-(aminomethyl)-1H-pyrazin-2-one;hydrochloride
SMILESCl.NCc1ncc[nH]c1=O
InChIInChI=1S/C5H7N3O.ClH/c6-3-4-5(9)8-2-1-7-4;/h1-2H,3,6H2,(H,8,9);1H
InChIKeyRHBMSRUREZABCM-UHFFFAOYSA-N
XLogP-0.35
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1H-pyrazin-2-one;hydrochloride?
The IUPAC name of 3-(aminomethyl)-1H-pyrazin-2-one;hydrochloride (CID 122360201) is 3-(aminomethyl)-1H-pyrazin-2-one;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-1H-pyrazin-2-one;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-1H-pyrazin-2-one;hydrochloride is Cl.NCc1ncc[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-1H-pyrazin-2-one;hydrochloride?
The InChIKey is RHBMSRUREZABCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.ClH/c6-3-4-5(9)8-2-1-7-4;/h1-2H,3,6H2,(H,8,9);1H.
What are the key properties of 3-(aminomethyl)-1H-pyrazin-2-one;hydrochloride?
3-(aminomethyl)-1H-pyrazin-2-one;hydrochloride has a molecular weight of 161.59 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1H-pyrazin-2-one;hydrochloride is sourced from PubChem (CID 122360201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).