2-methylbutane;1-(6-methylimidazo[1,5-a]pyrazin-1-yl)ethanone

C14H21N3O — CID 164594001

IUPAC2-methylbutane;1-(6-methylimidazo[1,5-a]pyrazin-1-yl)ethanone
SMILESCC(=O)c1ncn2cc(C)ncc12.CCC(C)C
InChIInChI=1S/C9H9N3O.C5H12/c1-6-4-12-5-11-9(7(2)13)8(12)3-10-6;1-4-5(2)3/h3-5H,1-2H3;5H,4H2,1-3H3
InChIKeyCQTWFAPOCIYMNW-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.29
Rot. Bonds2

About 2-methylbutane;1-(6-methylimidazo[1,5-a]pyrazin-1-yl)ethanone

2-methylbutane;1-(6-methylimidazo[1,5-a]pyrazin-1-yl)ethanone (PubChem CID 164594001) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methylbutane;1-(6-methylimidazo[1,5-a]pyrazin-1-yl)ethanone.

Molecular Properties

Compound Name2-methylbutane;1-(6-methylimidazo[1,5-a]pyrazin-1-yl)ethanone
PubChem CID164594001
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-methylbutane;1-(6-methylimidazo[1,5-a]pyrazin-1-yl)ethanone
SMILESCC(=O)c1ncn2cc(C)ncc12.CCC(C)C
InChIInChI=1S/C9H9N3O.C5H12/c1-6-4-12-5-11-9(7(2)13)8(12)3-10-6;1-4-5(2)3/h3-5H,1-2H3;5H,4H2,1-3H3
InChIKeyCQTWFAPOCIYMNW-UHFFFAOYSA-N
XLogP3.29
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutane;1-(6-methylimidazo[1,5-a]pyrazin-1-yl)ethanone?
The IUPAC name of 2-methylbutane;1-(6-methylimidazo[1,5-a]pyrazin-1-yl)ethanone (CID 164594001) is 2-methylbutane;1-(6-methylimidazo[1,5-a]pyrazin-1-yl)ethanone.
What is the SMILES notation for 2-methylbutane;1-(6-methylimidazo[1,5-a]pyrazin-1-yl)ethanone?
The canonical SMILES for 2-methylbutane;1-(6-methylimidazo[1,5-a]pyrazin-1-yl)ethanone is CC(=O)c1ncn2cc(C)ncc12.CCC(C)C.
What is the InChIKey of 2-methylbutane;1-(6-methylimidazo[1,5-a]pyrazin-1-yl)ethanone?
The InChIKey is CQTWFAPOCIYMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O.C5H12/c1-6-4-12-5-11-9(7(2)13)8(12)3-10-6;1-4-5(2)3/h3-5H,1-2H3;5H,4H2,1-3H3.
What are the key properties of 2-methylbutane;1-(6-methylimidazo[1,5-a]pyrazin-1-yl)ethanone?
2-methylbutane;1-(6-methylimidazo[1,5-a]pyrazin-1-yl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane;1-(6-methylimidazo[1,5-a]pyrazin-1-yl)ethanone is sourced from PubChem (CID 164594001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).