[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone

C17H16N10O — CID 164693914

IUPAC[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone
SMILESC[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1nc(-n2cnnc2)n[nH]1
InChIInChI=1S/C17H16N10O/c1-11-15-20-13(12-5-3-2-4-6-12)24-27(15)8-7-26(11)16(28)14-21-17(23-22-14)25-9-18-19-10-25/h2-6,9-11H,7-8H2,1H3,(H,21,22,23)/t11-/m0/s1
InChIKeyRELCJFWTQHMKRL-NSHDSACASA-N
MW376.38 g/mol
LogP0.86
Rot. Bonds3

About [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone

[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone (PubChem CID 164693914) has the molecular formula C17H16N10O and a molecular weight of 376.38 g/mol. Its IUPAC name is [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone.

Molecular Properties

Compound Name[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone
PubChem CID164693914
Molecular FormulaC17H16N10O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone
SMILESC[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1nc(-n2cnnc2)n[nH]1
InChIInChI=1S/C17H16N10O/c1-11-15-20-13(12-5-3-2-4-6-12)24-27(15)8-7-26(11)16(28)14-21-17(23-22-14)25-9-18-19-10-25/h2-6,9-11H,7-8H2,1H3,(H,21,22,23)/t11-/m0/s1
InChIKeyRELCJFWTQHMKRL-NSHDSACASA-N
XLogP0.86
TPSA123.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

1-[4-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone
CID 172674471
[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
CID 164699117
[2-(methylamino)pyrimidin-5-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164690816
1-methyl-3-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one
CID 164697667
(1-cyclopropylpyrrol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164688966
3-amino-1-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propan-1-one
CID 164698666
[5-(difluoromethyl)-1H-pyrazol-3-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone;formic acid
CID 166597957
(2-amino-1,3-thiazol-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 165424541
(5-fluoro-2-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164692660
(3-chloro-5-fluorophenyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164694394
[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 164693298
2,3-dihydro-1,4-benzodioxin-6-yl-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 172657012

Frequently Asked Questions

What is the IUPAC name of [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone?
The IUPAC name of [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone (CID 164693914) is [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone.
What is the SMILES notation for [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone?
The canonical SMILES for [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone is C[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1nc(-n2cnnc2)n[nH]1.
What is the InChIKey of [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone?
The InChIKey is RELCJFWTQHMKRL-NSHDSACASA-N. The full InChI is InChI=1S/C17H16N10O/c1-11-15-20-13(12-5-3-2-4-6-12)24-27(15)8-7-26(11)16(28)14-21-17(23-22-14)25-9-18-19-10-25/h2-6,9-11H,7-8H2,1H3,(H,21,22,23)/t11-/m0/s1.
What are the key properties of [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone?
[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone has a molecular weight of 376.38 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone is sourced from PubChem (CID 164693914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).