(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone

C17H19N7O2 — CID 100647018

IUPAC(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCC[C@H](Oc4cnccn4)C3)nc2n1
InChIInChI=1S/C17H19N7O2/c1-11-8-12(2)24-17(20-11)21-15(22-24)16(25)23-7-3-4-13(10-23)26-14-9-18-5-6-19-14/h5-6,8-9,13H,3-4,7,10H2,1-2H3/t13-/m0/s1
InChIKeyRREVKMYGNMXQIQ-ZDUSSCGKSA-N
MW353.39 g/mol
LogP1.21
Rot. Bonds3

About (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone

(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone (PubChem CID 100647018) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
PubChem CID100647018
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCC[C@H](Oc4cnccn4)C3)nc2n1
InChIInChI=1S/C17H19N7O2/c1-11-8-12(2)24-17(20-11)21-15(22-24)16(25)23-7-3-4-13(10-23)26-14-9-18-5-6-19-14/h5-6,8-9,13H,3-4,7,10H2,1-2H3/t13-/m0/s1
InChIKeyRREVKMYGNMXQIQ-ZDUSSCGKSA-N
XLogP1.21
TPSA98.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753890
3-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628058
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312812
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 32646366
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 46533250
(4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 91627868
tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
CID 24902489
1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100644461
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
(5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one
CID 100644338
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 95590090
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122260865

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone?
The IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone (CID 100647018) is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone.
What is the SMILES notation for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone?
The canonical SMILES for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone is Cc1cc(C)n2nc(C(=O)N3CCC[C@H](Oc4cnccn4)C3)nc2n1.
What is the InChIKey of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone?
The InChIKey is RREVKMYGNMXQIQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-11-8-12(2)24-17(20-11)21-15(22-24)16(25)23-7-3-4-13(10-23)26-14-9-18-5-6-19-14/h5-6,8-9,13H,3-4,7,10H2,1-2H3/t13-/m0/s1.
What are the key properties of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone?
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone has a molecular weight of 353.39 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone is sourced from PubChem (CID 100647018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).