1-but-2-ynyl-4-(2,3-dimethylphenyl)pyrazine-2,3-dione

C16H16N2O2 — CID 163351440

IUPAC1-but-2-ynyl-4-(2,3-dimethylphenyl)pyrazine-2,3-dione
SMILESCC#CCn1ccn(-c2cccc(C)c2C)c(=O)c1=O
InChIInChI=1S/C16H16N2O2/c1-4-5-9-17-10-11-18(16(20)15(17)19)14-8-6-7-12(2)13(14)3/h6-8,10-11H,9H2,1-3H3
InChIKeyAWEOBHPZQJBXKQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.64
Rot. Bonds2

About 1-but-2-ynyl-4-(2,3-dimethylphenyl)pyrazine-2,3-dione

1-but-2-ynyl-4-(2,3-dimethylphenyl)pyrazine-2,3-dione (PubChem CID 163351440) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-but-2-ynyl-4-(2,3-dimethylphenyl)pyrazine-2,3-dione.

Molecular Properties

Compound Name1-but-2-ynyl-4-(2,3-dimethylphenyl)pyrazine-2,3-dione
PubChem CID163351440
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-but-2-ynyl-4-(2,3-dimethylphenyl)pyrazine-2,3-dione
SMILESCC#CCn1ccn(-c2cccc(C)c2C)c(=O)c1=O
InChIInChI=1S/C16H16N2O2/c1-4-5-9-17-10-11-18(16(20)15(17)19)14-8-6-7-12(2)13(14)3/h6-8,10-11H,9H2,1-3H3
InChIKeyAWEOBHPZQJBXKQ-UHFFFAOYSA-N
XLogP1.64
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-but-2-ynyl-4-(2,3-dimethylphenyl)pyrazine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diampromide
CID 62370
1-[2-oxo-2-(2,2,4-trimethyl-1(2H)-quinolinyl)ethyl]-2,5-pyrrolidinedione
CID 713603
Acetamide, N-ethyl-N-1-naphthalenyl-
CID 880894
2-(Diethylamino)-N-(2-methylphenyl)acetamide
CID 18570
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
1-(3-Amino-2-Methylbenzyl)-4-Hexylpyridin-2(1h)-One
CID 54765334
4-(2,3-Dimethylphenyl)piperazinyl piperidyl ketone
CID 889032
Ethyl 4-(2,3-dimethylphenyl)-1-piperazinecarboxylate
CID 888012
1-[4-(2,3-Dimethylphenyl)-1-piperazinyl]-2-methyl-1-propanone
CID 897293
N-(3-Methylphenyl)-2-[4-(2-methylphenyl)piperidin-1-yl]acetamide
CID 16094668
1-(11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl)-ethanone
CID 44409218
2-(3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone
CID 54816802

Frequently Asked Questions

What is the IUPAC name of 1-but-2-ynyl-4-(2,3-dimethylphenyl)pyrazine-2,3-dione?
The IUPAC name of 1-but-2-ynyl-4-(2,3-dimethylphenyl)pyrazine-2,3-dione (CID 163351440) is 1-but-2-ynyl-4-(2,3-dimethylphenyl)pyrazine-2,3-dione.
What is the SMILES notation for 1-but-2-ynyl-4-(2,3-dimethylphenyl)pyrazine-2,3-dione?
The canonical SMILES for 1-but-2-ynyl-4-(2,3-dimethylphenyl)pyrazine-2,3-dione is CC#CCn1ccn(-c2cccc(C)c2C)c(=O)c1=O.
What is the InChIKey of 1-but-2-ynyl-4-(2,3-dimethylphenyl)pyrazine-2,3-dione?
The InChIKey is AWEOBHPZQJBXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-4-5-9-17-10-11-18(16(20)15(17)19)14-8-6-7-12(2)13(14)3/h6-8,10-11H,9H2,1-3H3.
What are the key properties of 1-but-2-ynyl-4-(2,3-dimethylphenyl)pyrazine-2,3-dione?
1-but-2-ynyl-4-(2,3-dimethylphenyl)pyrazine-2,3-dione has a molecular weight of 268.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-ynyl-4-(2,3-dimethylphenyl)pyrazine-2,3-dione is sourced from PubChem (CID 163351440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).