pyrazin-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone

C12H16N2O — CID 114973069

IUPACpyrazin-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cnccn2)C1(C)C
InChIInChI=1S/C12H16N2O/c1-11(2)10(12(11,3)4)9(15)8-7-13-5-6-14-8/h5-7,10H,1-4H3
InChIKeyMTOSZAHMGPTHCZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.34
Rot. Bonds2

About pyrazin-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone

pyrazin-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 114973069) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is pyrazin-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Namepyrazin-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID114973069
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Namepyrazin-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cnccn2)C1(C)C
InChIInChI=1S/C12H16N2O/c1-11(2)10(12(11,3)4)9(15)8-7-13-5-6-14-8/h5-7,10H,1-4H3
InChIKeyMTOSZAHMGPTHCZ-UHFFFAOYSA-N
XLogP2.34
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-dimethylcyclohexyl)-pyrazin-2-ylmethanone
CID 65390403
(4-methylcyclohexyl)-pyrazin-2-ylmethanone
CID 63969012
tetrakis(pyrazine-2-carboxylic acid);zirconium
CID 172643699
pyrazine-2-carbothioic S-acid
CID 87249006
platinum(2+);bis(pyrazine-2-carboxylic acid);dichloride
CID 54591628
N-deuteriopyrazine-2-carboxamide
CID 175943999
2-methyl-1-pyrazin-2-ylpropan-1-one
CID 538058
N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
CID 130233496
1,4-diazabicyclo[2.2.2]octan-2-yl(pyrazin-2-yl)methanone
CID 79969896
potassium;hydride;pyrazine-2-carboxylic acid
CID 174693780
pyrazin-2-yl(thiolan-3-yl)methanone
CID 105101277
pyrazin-2-yl(pyrrolidin-3-yl)methanone
CID 116568351

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of pyrazin-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 114973069) is pyrazin-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for pyrazin-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for pyrazin-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cnccn2)C1(C)C.
What is the InChIKey of pyrazin-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is MTOSZAHMGPTHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-11(2)10(12(11,3)4)9(15)8-7-13-5-6-14-8/h5-7,10H,1-4H3.
What are the key properties of pyrazin-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone?
pyrazin-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 204.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 114973069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).