7-(2-aminopropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C9H16N4O2 — CID 79091194

IUPAC7-(2-aminopropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(N)C(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C9H16N4O2/c1-6(10)8(14)12-2-3-13-7(5-12)4-11-9(13)15/h6-7H,2-5,10H2,1H3,(H,11,15)
InChIKeyHSXGYGOXMHZHSR-UHFFFAOYSA-N
MW212.25 g/mol
LogP-1.43
Rot. Bonds1

About 7-(2-aminopropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-(2-aminopropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091194) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 7-(2-aminopropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(2-aminopropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091194
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name7-(2-aminopropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(N)C(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C9H16N4O2/c1-6(10)8(14)12-2-3-13-7(5-12)4-11-9(13)15/h6-7H,2-5,10H2,1H3,(H,11,15)
InChIKeyHSXGYGOXMHZHSR-UHFFFAOYSA-N
XLogP-1.43
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-sulfanylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 107031951
4-amino-5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid
CID 79091984
3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide
CID 79094683
7-(2-amino-2-cyclopropylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091511
2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)pentanenitrile
CID 79091355
(8aS)-7-[(2S)-2-(4-methoxyphenoxy)propanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 95974155
7-[4-(2-aminoethyl)-5-methylhexanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79096433
7-(2-bromo-2-methylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 114328869
7-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091741
7-(4-aminobutanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091744
7-(3-amino-2,2-dimethylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride
CID 119819846
7-(3-phenyl-2-sulfanylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 107031946

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminopropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(2-aminopropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091194) is 7-(2-aminopropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(2-aminopropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(2-aminopropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CC(N)C(=O)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-(2-aminopropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is HSXGYGOXMHZHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6(10)8(14)12-2-3-13-7(5-12)4-11-9(13)15/h6-7H,2-5,10H2,1H3,(H,11,15).
What are the key properties of 7-(2-aminopropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(2-aminopropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 212.25 g/mol, XLogP of -1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminopropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).