(5-methylpyrazin-2-yl)-naphthalen-2-ylmethanone

C16H12N2O — CID 105094784

IUPAC(5-methylpyrazin-2-yl)-naphthalen-2-ylmethanone
SMILESCc1cnc(C(=O)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C16H12N2O/c1-11-9-18-15(10-17-11)16(19)14-7-6-12-4-2-3-5-13(12)8-14/h2-10H,1H3
InChIKeyMVTNWUBUDJFGBO-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.17
Rot. Bonds2

About (5-methylpyrazin-2-yl)-naphthalen-2-ylmethanone

(5-methylpyrazin-2-yl)-naphthalen-2-ylmethanone (PubChem CID 105094784) has the molecular formula C16H12N2O and a molecular weight of 248.28 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-naphthalen-2-ylmethanone
PubChem CID105094784
Molecular FormulaC16H12N2O
Molecular Weight248.28 g/mol
Exact Mass248.09
IUPAC Name(5-methylpyrazin-2-yl)-naphthalen-2-ylmethanone
SMILESCc1cnc(C(=O)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C16H12N2O/c1-11-9-18-15(10-17-11)16(19)14-7-6-12-4-2-3-5-13(12)8-14/h2-10H,1H3
InChIKeyMVTNWUBUDJFGBO-UHFFFAOYSA-N
XLogP3.17
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dinaphthalen-2-ylmethanone
CID 10945915
pentakis(anthracen-2-yl(benzo[g]quinolin-2-yl)methanone);benzo[g]quinolin-2-yl(naphthalen-2-yl)methanone;ethane
CID 160839075
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
(5-methylpyrazin-2-yl)-(2,4,5-trimethylphenyl)methanone
CID 105105704
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
(1-methylimidazol-2-yl)-naphthalen-2-ylmethanone
CID 60660061
(2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone
CID 43339492
1-(4-methylphenyl)-4-naphthalen-2-ylbut-2-ene-1,4-dione
CID 139710300
(3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone
CID 81156369
naphthalene-2-carboxylic acid
CID 175967775
[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone
CID 86296297

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-naphthalen-2-ylmethanone?
The IUPAC name of (5-methylpyrazin-2-yl)-naphthalen-2-ylmethanone (CID 105094784) is (5-methylpyrazin-2-yl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-naphthalen-2-ylmethanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-naphthalen-2-ylmethanone is Cc1cnc(C(=O)c2ccc3ccccc3c2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-naphthalen-2-ylmethanone?
The InChIKey is MVTNWUBUDJFGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c1-11-9-18-15(10-17-11)16(19)14-7-6-12-4-2-3-5-13(12)8-14/h2-10H,1H3.
What are the key properties of (5-methylpyrazin-2-yl)-naphthalen-2-ylmethanone?
(5-methylpyrazin-2-yl)-naphthalen-2-ylmethanone has a molecular weight of 248.28 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 105094784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).