3-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyrazine-2-carbonitrile

C15H17N7O — CID 129483309

IUPAC3-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyrazine-2-carbonitrile
SMILESCN1CCN(c2nccnc2C#N)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C15H17N7O/c1-21-6-7-22(14-11(8-16)17-4-5-18-14)9-12(21)15-19-13(20-23-15)10-2-3-10/h4-5,10,12H,2-3,6-7,9H2,1H3/t12-/m0/s1
InChIKeyTZQXRFARXOJYGJ-LBPRGKRZSA-N
MW311.35 g/mol
LogP1.10
Rot. Bonds3

About 3-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyrazine-2-carbonitrile

3-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 129483309) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 3-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID129483309
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name3-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyrazine-2-carbonitrile
SMILESCN1CCN(c2nccnc2C#N)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C15H17N7O/c1-21-6-7-22(14-11(8-16)17-4-5-18-14)9-12(21)15-19-13(20-23-15)10-2-3-10/h4-5,10,12H,2-3,6-7,9H2,1H3/t12-/m0/s1
InChIKeyTZQXRFARXOJYGJ-LBPRGKRZSA-N
XLogP1.10
TPSA94.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 129482332
3-cyclopropyl-5-[(2S)-1-methyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-2-yl]-1,2,4-oxadiazole
CID 129484503
3-cyclopropyl-5-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole
CID 128980573
3-[(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]pyrazine-2-carbonitrile
CID 129447030
3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine
CID 133475838
3-cyclopropyl-5-[(2R)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole
CID 129485091
3-cyclopropyl-5-[(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole
CID 129485017
[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 129484364
5-[(2S)-4-(3,6-dimethylpyrazin-2-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129482979
5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 129482170
3,5-difluoro-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]benzonitrile
CID 128977795
(2-chlorofuran-3-yl)-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone
CID 129482975

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyrazine-2-carbonitrile (CID 129483309) is 3-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyrazine-2-carbonitrile is CN1CCN(c2nccnc2C#N)C[C@H]1c1nc(C2CC2)no1.
What is the InChIKey of 3-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is TZQXRFARXOJYGJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N7O/c1-21-6-7-22(14-11(8-16)17-4-5-18-14)9-12(21)15-19-13(20-23-15)10-2-3-10/h4-5,10,12H,2-3,6-7,9H2,1H3/t12-/m0/s1.
What are the key properties of 3-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyrazine-2-carbonitrile?
3-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 311.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 129483309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).