(5-methylpyrazin-2-yl)-(2,4,5-trimethylphenyl)methanone

C15H16N2O — CID 105105704

IUPAC(5-methylpyrazin-2-yl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cnc(C(=O)c2cc(C)c(C)cc2C)cn1
InChIInChI=1S/C15H16N2O/c1-9-5-11(3)13(6-10(9)2)15(18)14-8-16-12(4)7-17-14/h5-8H,1-4H3
InChIKeyVPTLETZAAPSQID-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.94
Rot. Bonds2

About (5-methylpyrazin-2-yl)-(2,4,5-trimethylphenyl)methanone

(5-methylpyrazin-2-yl)-(2,4,5-trimethylphenyl)methanone (PubChem CID 105105704) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-(2,4,5-trimethylphenyl)methanone
PubChem CID105105704
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name(5-methylpyrazin-2-yl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cnc(C(=O)c2cc(C)c(C)cc2C)cn1
InChIInChI=1S/C15H16N2O/c1-9-5-11(3)13(6-10(9)2)15(18)14-8-16-12(4)7-17-14/h5-8H,1-4H3
InChIKeyVPTLETZAAPSQID-UHFFFAOYSA-N
XLogP2.94
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone
CID 105095344
(5-methylpyrazin-2-yl)-naphthalen-2-ylmethanone
CID 105094784
(2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone
CID 105101741
pyrimidin-5-yl-(2,4,5-trimethylphenyl)methanone
CID 102923150
thiadiazol-4-yl-(2,4,5-trimethylphenyl)methanone
CID 105105851
(3,4-dimethylphenyl) 5-methylpyrazine-2-carboxylate
CID 2457299
2-hydroxy-1-(5-methylpyrazin-2-yl)ethanone
CID 121394382
acetaldehyde;N,5-dimethylpyrazine-2-carboxamide
CID 144521434
cyclopropyl-(5-methylpyrazin-2-yl)methanone
CID 118508128
5-methylpyrazine-2-carboxylic acid;1,4-xylene
CID 174881923
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-methylpyrazine-2-carbohydrazide
CID 18266699
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-(2,4,5-trimethylphenyl)methanone (CID 105105704) is (5-methylpyrazin-2-yl)-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-(2,4,5-trimethylphenyl)methanone is Cc1cnc(C(=O)c2cc(C)c(C)cc2C)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-(2,4,5-trimethylphenyl)methanone?
The InChIKey is VPTLETZAAPSQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-9-5-11(3)13(6-10(9)2)15(18)14-8-16-12(4)7-17-14/h5-8H,1-4H3.
What are the key properties of (5-methylpyrazin-2-yl)-(2,4,5-trimethylphenyl)methanone?
(5-methylpyrazin-2-yl)-(2,4,5-trimethylphenyl)methanone has a molecular weight of 240.31 g/mol, XLogP of 2.94, 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)-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 105105704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).