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

C20H21N5O2 — CID 164688246

IUPAC[(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-cyclopropyl-1,2-oxazol-5-yl)methanone
SMILESCc1nnc2n1[C@H](Cc1ccccc1)CN(C(=O)c1cc(C3CC3)no1)C2
InChIInChI=1S/C20H21N5O2/c1-13-21-22-19-12-24(20(26)18-10-17(23-27-18)15-7-8-15)11-16(25(13)19)9-14-5-3-2-4-6-14/h2-6,10,15-16H,7-9,11-12H2,1H3/t16-/m1/s1
InChIKeyKSKGPMWQDJBYQP-MRXNPFEDSA-N
MW363.42 g/mol
LogP2.89
Rot. Bonds4

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

[(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-cyclopropyl-1,2-oxazol-5-yl)methanone (PubChem CID 164688246) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-cyclopropyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-cyclopropyl-1,2-oxazol-5-yl)methanone
PubChem CID164688246
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name[(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-cyclopropyl-1,2-oxazol-5-yl)methanone
SMILESCc1nnc2n1[C@H](Cc1ccccc1)CN(C(=O)c1cc(C3CC3)no1)C2
InChIInChI=1S/C20H21N5O2/c1-13-21-22-19-12-24(20(26)18-10-17(23-27-18)15-7-8-15)11-16(25(13)19)9-14-5-3-2-4-6-14/h2-6,10,15-16H,7-9,11-12H2,1H3/t16-/m1/s1
InChIKeyKSKGPMWQDJBYQP-MRXNPFEDSA-N
XLogP2.89
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

[(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxy-2-pyridinyl)methanone
CID 164698739
5-[(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 164692268
1-[(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4,4,4-trifluorobutan-1-one
CID 164692015
[(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone
CID 164696498
formic acid;methyl 5-[(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-3-carboxylate
CID 166598099
1-[(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one;formic acid
CID 171316666
morpholin-4-yl-[3-[1-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone
CID 92574714
[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 164690609
[3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
CID 92574689
(5R)-5-benzyl-7-[(2-fluorophenyl)methylsulfonyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 164698443
[3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 92574813
(3-methyl-1,2-oxazol-5-yl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164688648

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-cyclopropyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-cyclopropyl-1,2-oxazol-5-yl)methanone (CID 164688246) is [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-cyclopropyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-cyclopropyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-cyclopropyl-1,2-oxazol-5-yl)methanone is Cc1nnc2n1[C@H](Cc1ccccc1)CN(C(=O)c1cc(C3CC3)no1)C2.
What is the InChIKey of [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-cyclopropyl-1,2-oxazol-5-yl)methanone?
The InChIKey is KSKGPMWQDJBYQP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-21-22-19-12-24(20(26)18-10-17(23-27-18)15-7-8-15)11-16(25(13)19)9-14-5-3-2-4-6-14/h2-6,10,15-16H,7-9,11-12H2,1H3/t16-/m1/s1.
What are the key properties of [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-cyclopropyl-1,2-oxazol-5-yl)methanone?
[(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-cyclopropyl-1,2-oxazol-5-yl)methanone has a molecular weight of 363.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-cyclopropyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 164688246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).