3-methyl-1H-pyrazin-2-one;molecular hydrogen

C5H8N2O — CID 142113930

IUPAC3-methyl-1H-pyrazin-2-one;molecular hydrogen
SMILESCc1ncc[nH]c1=O.[H][H]
InChIInChI=1S/C5H6N2O.H2/c1-4-5(8)7-3-2-6-4;/h2-3H,1H3,(H,7,8);1H
InChIKeyYMBPJROZAKHWTR-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.32
Rot. Bonds

About 3-methyl-1H-pyrazin-2-one;molecular hydrogen

3-methyl-1H-pyrazin-2-one;molecular hydrogen (PubChem CID 142113930) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 3-methyl-1H-pyrazin-2-one;molecular hydrogen.

Molecular Properties

Compound Name3-methyl-1H-pyrazin-2-one;molecular hydrogen
PubChem CID142113930
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name3-methyl-1H-pyrazin-2-one;molecular hydrogen
SMILESCc1ncc[nH]c1=O.[H][H]
InChIInChI=1S/C5H6N2O.H2/c1-4-5(8)7-3-2-6-4;/h2-3H,1H3,(H,7,8);1H
InChIKeyYMBPJROZAKHWTR-UHFFFAOYSA-N
XLogP0.32
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-pyrazin-2-one;molecular hydrogen?
The IUPAC name of 3-methyl-1H-pyrazin-2-one;molecular hydrogen (CID 142113930) is 3-methyl-1H-pyrazin-2-one;molecular hydrogen.
What is the SMILES notation for 3-methyl-1H-pyrazin-2-one;molecular hydrogen?
The canonical SMILES for 3-methyl-1H-pyrazin-2-one;molecular hydrogen is Cc1ncc[nH]c1=O.[H][H].
What is the InChIKey of 3-methyl-1H-pyrazin-2-one;molecular hydrogen?
The InChIKey is YMBPJROZAKHWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.H2/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;molecular hydrogen?
3-methyl-1H-pyrazin-2-one;molecular hydrogen has a molecular weight of 112.13 g/mol, XLogP of 0.32, 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;molecular hydrogen is sourced from PubChem (CID 142113930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).