N-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-methyl-1-oxobutan-2-yl]acetamide

C13H20N4O2 — CID 56905957

IUPACN-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCn2cncc2C1)C(C)C
InChIInChI=1S/C13H20N4O2/c1-9(2)12(15-10(3)18)13(19)16-4-5-17-8-14-6-11(17)7-16/h6,8-9,12H,4-5,7H2,1-3H3,(H,15,18)
InChIKeyHPRQBPWECBPZTJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.39
Rot. Bonds3

About N-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-methyl-1-oxobutan-2-yl]acetamide

N-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-methyl-1-oxobutan-2-yl]acetamide (PubChem CID 56905957) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-methyl-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-methyl-1-oxobutan-2-yl]acetamide
PubChem CID56905957
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCn2cncc2C1)C(C)C
InChIInChI=1S/C13H20N4O2/c1-9(2)12(15-10(3)18)13(19)16-4-5-17-8-14-6-11(17)7-16/h6,8-9,12H,4-5,7H2,1-3H3,(H,15,18)
InChIKeyHPRQBPWECBPZTJ-UHFFFAOYSA-N
XLogP0.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-methyl-1-oxobutan-2-yl]acetamide (CID 56905957) is N-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-methyl-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-methyl-1-oxobutan-2-yl]acetamide is CC(=O)NC(C(=O)N1CCn2cncc2C1)C(C)C.
What is the InChIKey of N-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
The InChIKey is HPRQBPWECBPZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)12(15-10(3)18)13(19)16-4-5-17-8-14-6-11(17)7-16/h6,8-9,12H,4-5,7H2,1-3H3,(H,15,18).
What are the key properties of N-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
N-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-methyl-1-oxobutan-2-yl]acetamide has a molecular weight of 264.33 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-methyl-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 56905957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).