(2R)-2-amino-1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-phenylethanone

C20H27N5O — CID 165420164

IUPAC(2R)-2-amino-1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-phenylethanone
SMILESCC(C)C[C@H]1c2nc(C3CC3)nn2CCN1C(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C20H27N5O/c1-13(2)12-16-19-22-18(15-8-9-15)23-25(19)11-10-24(16)20(26)17(21)14-6-4-3-5-7-14/h3-7,13,15-17H,8-12,21H2,1-2H3/t16-,17+/m0/s1
InChIKeyPYHNBDBEQXFNHF-DLBZAZTESA-N
MW353.47 g/mol
LogP2.78
Rot. Bonds5

About (2R)-2-amino-1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-phenylethanone

(2R)-2-amino-1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-phenylethanone (PubChem CID 165420164) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is (2R)-2-amino-1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-amino-1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-phenylethanone
PubChem CID165420164
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name(2R)-2-amino-1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-phenylethanone
SMILESCC(C)C[C@H]1c2nc(C3CC3)nn2CCN1C(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C20H27N5O/c1-13(2)12-16-19-22-18(15-8-9-15)23-25(19)11-10-24(16)20(26)17(21)14-6-4-3-5-7-14/h3-7,13,15-17H,8-12,21H2,1-2H3/t16-,17+/m0/s1
InChIKeyPYHNBDBEQXFNHF-DLBZAZTESA-N
XLogP2.78
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-phenylethanone with MolForge

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Related Compounds

4-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-quinolin-2-one
CID 165417877
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone
CID 164699474
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-fluoro-2-pyridinyl)methanone
CID 164697146
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone
CID 164698895
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 164699221
1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone
CID 164692596
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-methoxy-4-pyridinyl)methanone
CID 164693925
(3-chloro-4-methoxyphenyl)-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164696413
1-[2-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-oxoethyl]azepan-2-one
CID 164696234
1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanone
CID 164691437
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
CID 164691661
2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone
CID 119337376

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-phenylethanone?
The IUPAC name of (2R)-2-amino-1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-phenylethanone (CID 165420164) is (2R)-2-amino-1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-phenylethanone.
What is the SMILES notation for (2R)-2-amino-1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-phenylethanone?
The canonical SMILES for (2R)-2-amino-1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-phenylethanone is CC(C)C[C@H]1c2nc(C3CC3)nn2CCN1C(=O)[C@H](N)c1ccccc1.
What is the InChIKey of (2R)-2-amino-1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-phenylethanone?
The InChIKey is PYHNBDBEQXFNHF-DLBZAZTESA-N. The full InChI is InChI=1S/C20H27N5O/c1-13(2)12-16-19-22-18(15-8-9-15)23-25(19)11-10-24(16)20(26)17(21)14-6-4-3-5-7-14/h3-7,13,15-17H,8-12,21H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of (2R)-2-amino-1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-phenylethanone?
(2R)-2-amino-1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-phenylethanone has a molecular weight of 353.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-phenylethanone is sourced from PubChem (CID 165420164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).