2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

C17H22N4O4 — CID 131961759

IUPAC2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESCc1cccc(C)c1OCCN1C(=O)C2CN(C(N)=O)CCN2C1=O
InChIInChI=1S/C17H22N4O4/c1-11-4-3-5-12(2)14(11)25-9-8-21-15(22)13-10-19(16(18)23)6-7-20(13)17(21)24/h3-5,13H,6-10H2,1-2H3,(H2,18,23)
InChIKeyVXTMXTBOKDYNII-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.71
Rot. Bonds4

About 2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 131961759) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID131961759
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESCc1cccc(C)c1OCCN1C(=O)C2CN(C(N)=O)CCN2C1=O
InChIInChI=1S/C17H22N4O4/c1-11-4-3-5-12(2)14(11)25-9-8-21-15(22)13-10-19(16(18)23)6-7-20(13)17(21)24/h3-5,13H,6-10H2,1-2H3,(H2,18,23)
InChIKeyVXTMXTBOKDYNII-UHFFFAOYSA-N
XLogP0.71
TPSA96.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide (CID 131961759) is 2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide is Cc1cccc(C)c1OCCN1C(=O)C2CN(C(N)=O)CCN2C1=O.
What is the InChIKey of 2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is VXTMXTBOKDYNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-11-4-3-5-12(2)14(11)25-9-8-21-15(22)13-10-19(16(18)23)6-7-20(13)17(21)24/h3-5,13H,6-10H2,1-2H3,(H2,18,23).
What are the key properties of 2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 131961759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).