7-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C15H21N3O3 — CID 82966022

IUPAC7-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCOc1cc(C(C)N2CCN3C(=O)NCC3C2)ccc1O
InChIInChI=1S/C15H21N3O3/c1-10(11-3-4-13(19)14(7-11)21-2)17-5-6-18-12(9-17)8-16-15(18)20/h3-4,7,10,12,19H,5-6,8-9H2,1-2H3,(H,16,20)
InChIKeyWXACLYWUZJCEJJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.17
Rot. Bonds3

About 7-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 82966022) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 7-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID82966022
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name7-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCOc1cc(C(C)N2CCN3C(=O)NCC3C2)ccc1O
InChIInChI=1S/C15H21N3O3/c1-10(11-3-4-13(19)14(7-11)21-2)17-5-6-18-12(9-17)8-16-15(18)20/h3-4,7,10,12,19H,5-6,8-9H2,1-2H3,(H,16,20)
InChIKeyWXACLYWUZJCEJJ-UHFFFAOYSA-N
XLogP1.17
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066376
2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82981169
2-methoxy-4-(1-piperidin-1-ylethyl)phenol
CID 82977006
2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171288751
2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 63263171
7-[2-amino-1-(4-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095526
7-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79096262
7-[2-amino-1-(4-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095701
2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol
CID 82966334
4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol
CID 82983373
2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol
CID 82957217
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol
CID 80550597

Frequently Asked Questions

What is the IUPAC name of 7-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 82966022) is 7-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is COc1cc(C(C)N2CCN3C(=O)NCC3C2)ccc1O.
What is the InChIKey of 7-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is WXACLYWUZJCEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(11-3-4-13(19)14(7-11)21-2)17-5-6-18-12(9-17)8-16-15(18)20/h3-4,7,10,12,19H,5-6,8-9H2,1-2H3,(H,16,20).
What are the key properties of 7-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 291.35 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 82966022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).