[(8R)-8-methyl-3-(2-methyl-4H-imidazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methylphenyl)methanone

C18H20N6O — CID 161354831

IUPAC[(8R)-8-methyl-3-(2-methyl-4H-imidazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methylphenyl)methanone
SMILESCC1=NCC(c2nnc3n2CCN(C(=O)c2ccccc2C)[C@@H]3C)=N1
InChIInChI=1S/C18H20N6O/c1-11-6-4-5-7-14(11)18(25)23-8-9-24-16(12(23)2)21-22-17(24)15-10-19-13(3)20-15/h4-7,12H,8-10H2,1-3H3/t12-/m1/s1
InChIKeyLXYOKNATXXWLOD-GFCCVEGCSA-N
MW336.40 g/mol
LogP2.02
Rot. Bonds2

About [(8R)-8-methyl-3-(2-methyl-4H-imidazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methylphenyl)methanone

[(8R)-8-methyl-3-(2-methyl-4H-imidazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methylphenyl)methanone (PubChem CID 161354831) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is [(8R)-8-methyl-3-(2-methyl-4H-imidazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[(8R)-8-methyl-3-(2-methyl-4H-imidazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methylphenyl)methanone
PubChem CID161354831
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name[(8R)-8-methyl-3-(2-methyl-4H-imidazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methylphenyl)methanone
SMILESCC1=NCC(c2nnc3n2CCN(C(=O)c2ccccc2C)[C@@H]3C)=N1
InChIInChI=1S/C18H20N6O/c1-11-6-4-5-7-14(11)18(25)23-8-9-24-16(12(23)2)21-22-17(24)15-10-19-13(3)20-15/h4-7,12H,8-10H2,1-3H3/t12-/m1/s1
InChIKeyLXYOKNATXXWLOD-GFCCVEGCSA-N
XLogP2.02
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(8R)-8-methyl-3-(2-methyl-4H-imidazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methylphenyl)methanone with MolForge

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Related Compounds

[(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone
CID 169036001
[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 37452067
(3S)-1-(2,3-dimethylphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93323237
[(8R)-3-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3-dichlorophenyl)methanone
CID 118950326
(2-cyclopropyloxyphenyl)-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 126818288
[(8R)-3-(1,3-benzothiazol-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone
CID 170190926
[8-methyl-3-(2-phenyl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone
CID 71225138
[(8R)-8-methyl-3-(2-phenyl-1,3-oxazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone
CID 71225004
(4-chlorophenyl)-[8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 122587702
3-methyl-4-(2-methylbenzoyl)-1-(3-methylphenyl)piperazin-2-one
CID 24716351
(4-fluorophenyl)-[(8S)-8-methyl-3-(2-phenyl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 67451093
(3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93292651

Frequently Asked Questions

What is the IUPAC name of [(8R)-8-methyl-3-(2-methyl-4H-imidazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methylphenyl)methanone?
The IUPAC name of [(8R)-8-methyl-3-(2-methyl-4H-imidazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methylphenyl)methanone (CID 161354831) is [(8R)-8-methyl-3-(2-methyl-4H-imidazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [(8R)-8-methyl-3-(2-methyl-4H-imidazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [(8R)-8-methyl-3-(2-methyl-4H-imidazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methylphenyl)methanone is CC1=NCC(c2nnc3n2CCN(C(=O)c2ccccc2C)[C@@H]3C)=N1.
What is the InChIKey of [(8R)-8-methyl-3-(2-methyl-4H-imidazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methylphenyl)methanone?
The InChIKey is LXYOKNATXXWLOD-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N6O/c1-11-6-4-5-7-14(11)18(25)23-8-9-24-16(12(23)2)21-22-17(24)15-10-19-13(3)20-15/h4-7,12H,8-10H2,1-3H3/t12-/m1/s1.
What are the key properties of [(8R)-8-methyl-3-(2-methyl-4H-imidazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methylphenyl)methanone?
[(8R)-8-methyl-3-(2-methyl-4H-imidazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methylphenyl)methanone has a molecular weight of 336.40 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-8-methyl-3-(2-methyl-4H-imidazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 161354831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).