2-(3-methylphenyl)-7-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C19H21N3O — CID 13266662

IUPAC2-(3-methylphenyl)-7-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCc1cccc(N2CC3CN(c4ccccc4)CCN3C2=O)c1
InChIInChI=1S/C19H21N3O/c1-15-6-5-9-17(12-15)22-14-18-13-20(10-11-21(18)19(22)23)16-7-3-2-4-8-16/h2-9,12,18H,10-11,13-14H2,1H3
InChIKeyXKXAYHMAAABWQJ-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.13
Rot. Bonds2

About 2-(3-methylphenyl)-7-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

2-(3-methylphenyl)-7-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 13266662) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(3-methylphenyl)-7-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(3-methylphenyl)-7-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID13266662
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-(3-methylphenyl)-7-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCc1cccc(N2CC3CN(c4ccccc4)CCN3C2=O)c1
InChIInChI=1S/C19H21N3O/c1-15-6-5-9-17(12-15)22-14-18-13-20(10-11-21(18)19(22)23)16-7-3-2-4-8-16/h2-9,12,18H,10-11,13-14H2,1H3
InChIKeyXKXAYHMAAABWQJ-UHFFFAOYSA-N
XLogP3.13
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-7-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 2-(3-methylphenyl)-7-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 13266662) is 2-(3-methylphenyl)-7-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 2-(3-methylphenyl)-7-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 2-(3-methylphenyl)-7-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is Cc1cccc(N2CC3CN(c4ccccc4)CCN3C2=O)c1.
What is the InChIKey of 2-(3-methylphenyl)-7-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is XKXAYHMAAABWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-15-6-5-9-17(12-15)22-14-18-13-20(10-11-21(18)19(22)23)16-7-3-2-4-8-16/h2-9,12,18H,10-11,13-14H2,1H3.
What are the key properties of 2-(3-methylphenyl)-7-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
2-(3-methylphenyl)-7-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 307.40 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-7-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 13266662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).