3-methyl-1H-pyrazin-2-one;hydrochloride

C5H7ClN2O — CID 70076933

IUPAC3-methyl-1H-pyrazin-2-one;hydrochloride
SMILESCc1ncc[nH]c1=O.Cl
InChIInChI=1S/C5H6N2O.ClH/c1-4-5(8)7-3-2-6-4;/h2-3H,1H3,(H,7,8);1H
InChIKeyVJVIQRXPCGPAJH-UHFFFAOYSA-N
MW146.58 g/mol
LogP0.50
Rot. Bonds

About 3-methyl-1H-pyrazin-2-one;hydrochloride

3-methyl-1H-pyrazin-2-one;hydrochloride (PubChem CID 70076933) has the molecular formula C5H7ClN2O and a molecular weight of 146.58 g/mol. Its IUPAC name is 3-methyl-1H-pyrazin-2-one;hydrochloride.

Molecular Properties

Compound Name3-methyl-1H-pyrazin-2-one;hydrochloride
PubChem CID70076933
Molecular FormulaC5H7ClN2O
Molecular Weight146.58 g/mol
Exact Mass146.02
IUPAC Name3-methyl-1H-pyrazin-2-one;hydrochloride
SMILESCc1ncc[nH]c1=O.Cl
InChIInChI=1S/C5H6N2O.ClH/c1-4-5(8)7-3-2-6-4;/h2-3H,1H3,(H,7,8);1H
InChIKeyVJVIQRXPCGPAJH-UHFFFAOYSA-N
XLogP0.50
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Pyrazinecarboxamide, 3,4-dihydro-3-oxo-
CID 294642
3,5-Dimethyl-1H-pyrazin-2-one
CID 13123639
2-Hydroxy-3-methylpyrazine
CID 88276
3-Ethylpyrazin-2(1h)-one
CID 117601
3-(Aminomethyl)pyrazin-2-ol hydrochloride
CID 122360201
3-(Aminomethyl)-1-methyl-1,2-dihydropyrazin-2-one dihydrochloride
CID 134691147
3-Ethyl-1,2-dihydropyrazin-2-one hydrochloride
CID 137964804
3-Oxo-3,4-dihydropyrazine-2-carbonitrile
CID 12913763
3-(Aminomethyl)pyrazin-2-ol
CID 62674128
3-(aminomethyl)-5-fluoro-1H-pyrazin-2-one
CID 123273976
3-(Aminomethyl)-1-methyl-1,2-dihydropyrazin-2-one
CID 124252825
3-Ethynyl-2(1h)-pyrazinone
CID 129737388

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-pyrazin-2-one;hydrochloride?
The IUPAC name of 3-methyl-1H-pyrazin-2-one;hydrochloride (CID 70076933) is 3-methyl-1H-pyrazin-2-one;hydrochloride.
What is the SMILES notation for 3-methyl-1H-pyrazin-2-one;hydrochloride?
The canonical SMILES for 3-methyl-1H-pyrazin-2-one;hydrochloride is Cc1ncc[nH]c1=O.Cl.
What is the InChIKey of 3-methyl-1H-pyrazin-2-one;hydrochloride?
The InChIKey is VJVIQRXPCGPAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.ClH/c1-4-5(8)7-3-2-6-4;/h2-3H,1H3,(H,7,8);1H.
What are the key properties of 3-methyl-1H-pyrazin-2-one;hydrochloride?
3-methyl-1H-pyrazin-2-one;hydrochloride has a molecular weight of 146.58 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-pyrazin-2-one;hydrochloride is sourced from PubChem (CID 70076933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).