7-[5-(3-methyl-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C26H26N8O — CID 122622684

IUPAC7-[5-(3-methyl-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC1(c2ccccc2)CCc2nc3ccc(-c4cnc(N5CCN6C(=O)NCC6C5)nc4)nc3n21
InChIInChI=1S/C26H26N8O/c1-26(18-5-3-2-4-6-18)10-9-22-30-21-8-7-20(31-23(21)34(22)26)17-13-27-24(28-14-17)32-11-12-33-19(16-32)15-29-25(33)35/h2-8,13-14,19H,9-12,15-16H2,1H3,(H,29,35)
InChIKeyDSKHMTXASOFAIN-UHFFFAOYSA-N
MW466.55 g/mol
LogP2.81
Rot. Bonds3

About 7-[5-(3-methyl-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[5-(3-methyl-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 122622684) has the molecular formula C26H26N8O and a molecular weight of 466.55 g/mol. Its IUPAC name is 7-[5-(3-methyl-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[5-(3-methyl-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID122622684
Molecular FormulaC26H26N8O
Molecular Weight466.55 g/mol
Exact Mass466.22
IUPAC Name7-[5-(3-methyl-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC1(c2ccccc2)CCc2nc3ccc(-c4cnc(N5CCN6C(=O)NCC6C5)nc4)nc3n21
InChIInChI=1S/C26H26N8O/c1-26(18-5-3-2-4-6-18)10-9-22-30-21-8-7-20(31-23(21)34(22)26)17-13-27-24(28-14-17)32-11-12-33-19(16-32)15-29-25(33)35/h2-8,13-14,19H,9-12,15-16H2,1H3,(H,29,35)
InChIKeyDSKHMTXASOFAIN-UHFFFAOYSA-N
XLogP2.81
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[5-(3-methyl-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(3-methyl-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[5-(3-methyl-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 122622684) is 7-[5-(3-methyl-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[5-(3-methyl-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[5-(3-methyl-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CC1(c2ccccc2)CCc2nc3ccc(-c4cnc(N5CCN6C(=O)NCC6C5)nc4)nc3n21.
What is the InChIKey of 7-[5-(3-methyl-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is DSKHMTXASOFAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O/c1-26(18-5-3-2-4-6-18)10-9-22-30-21-8-7-20(31-23(21)34(22)26)17-13-27-24(28-14-17)32-11-12-33-19(16-32)15-29-25(33)35/h2-8,13-14,19H,9-12,15-16H2,1H3,(H,29,35).
What are the key properties of 7-[5-(3-methyl-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[5-(3-methyl-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 466.55 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(3-methyl-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 122622684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).