3-thiomorpholin-4-ylpyrazine-2-carbonitrile

C9H10N4S — CID 62683678

IUPAC3-thiomorpholin-4-ylpyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCSCC1
InChIInChI=1S/C9H10N4S/c10-7-8-9(12-2-1-11-8)13-3-5-14-6-4-13/h1-2H,3-6H2
InChIKeyYSFUVFXEQNBTPD-UHFFFAOYSA-N
MW206.27 g/mol
LogP0.90
Rot. Bonds1

About 3-thiomorpholin-4-ylpyrazine-2-carbonitrile

3-thiomorpholin-4-ylpyrazine-2-carbonitrile (PubChem CID 62683678) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-thiomorpholin-4-ylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-thiomorpholin-4-ylpyrazine-2-carbonitrile
PubChem CID62683678
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name3-thiomorpholin-4-ylpyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCSCC1
InChIInChI=1S/C9H10N4S/c10-7-8-9(12-2-1-11-8)13-3-5-14-6-4-13/h1-2H,3-6H2
InChIKeyYSFUVFXEQNBTPD-UHFFFAOYSA-N
XLogP0.90
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(4-Methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile
CID 57398119
3-(Piperazin-1-yl)pyrazine-2-carbonitrile hydrochloride
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N'-(3-cyanopyrazin-2-yl)-N,N-dimethylformamidine
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3-(3-Methylpiperazin-1-yl)pyrazine-2-carbonitrile
CID 62672330
3-(2,2-Dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbonitrile
CID 71921200
5-[[(2S)-1-cyanopropan-2-yl]-methylamino]pyrazine-2-carbonitrile
CID 164639718
6-(1-Piperazinyl)-2-pyrazinecarbonitrile
CID 90674675
5-(3-Fluoropiperidin-1-yl)pyrazine-2-carbonitrile
CID 123167672
5-[4-[(Z)-N-(methylideneamino)-C-(trifluoromethyl)carbonimidoyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 163390302
(11R)-13-propan-2-yl-5-(trifluoromethyl)-9-thia-1,3,6,13-tetrazatricyclo[9.4.0.02,7]pentadeca-2,4,6-triene
CID 171587635

Frequently Asked Questions

What is the IUPAC name of 3-thiomorpholin-4-ylpyrazine-2-carbonitrile?
The IUPAC name of 3-thiomorpholin-4-ylpyrazine-2-carbonitrile (CID 62683678) is 3-thiomorpholin-4-ylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-thiomorpholin-4-ylpyrazine-2-carbonitrile?
The canonical SMILES for 3-thiomorpholin-4-ylpyrazine-2-carbonitrile is N#Cc1nccnc1N1CCSCC1.
What is the InChIKey of 3-thiomorpholin-4-ylpyrazine-2-carbonitrile?
The InChIKey is YSFUVFXEQNBTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c10-7-8-9(12-2-1-11-8)13-3-5-14-6-4-13/h1-2H,3-6H2.
What are the key properties of 3-thiomorpholin-4-ylpyrazine-2-carbonitrile?
3-thiomorpholin-4-ylpyrazine-2-carbonitrile has a molecular weight of 206.27 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiomorpholin-4-ylpyrazine-2-carbonitrile is sourced from PubChem (CID 62683678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).