3-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrazine-2-carbonitrile

C13H18N6 — CID 91406817

IUPAC3-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN([C@H]2CCNC2)CC1
InChIInChI=1S/C13H18N6/c14-9-12-13(17-4-3-16-12)19-7-5-18(6-8-19)11-1-2-15-10-11/h3-4,11,15H,1-2,5-8,10H2/t11-/m0/s1
InChIKeyWZKJTSZQKGOGBQ-NSHDSACASA-N
MW258.33 g/mol
LogP-0.17
Rot. Bonds2

About 3-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrazine-2-carbonitrile

3-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 91406817) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 3-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID91406817
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name3-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN([C@H]2CCNC2)CC1
InChIInChI=1S/C13H18N6/c14-9-12-13(17-4-3-16-12)19-7-5-18(6-8-19)11-1-2-15-10-11/h3-4,11,15H,1-2,5-8,10H2/t11-/m0/s1
InChIKeyWZKJTSZQKGOGBQ-NSHDSACASA-N
XLogP-0.17
TPSA68.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 56708629
2-(difluoromethoxy)-3-(4-pyrrolidin-3-ylpiperazin-1-yl)pyrazine
CID 128843179
3-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 68648376
3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile
CID 18526471
3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 59598857
3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile
CID 79091673
3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133284433
3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 172905390
3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133396027
3-(3-oxopiperazin-1-yl)pyrazine-2-carbonitrile
CID 62685201
3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 126947642
3-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]pyrazine-2-carbonitrile
CID 62671828

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrazine-2-carbonitrile (CID 91406817) is 3-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCN([C@H]2CCNC2)CC1.
What is the InChIKey of 3-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is WZKJTSZQKGOGBQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N6/c14-9-12-13(17-4-3-16-12)19-7-5-18(6-8-19)11-1-2-15-10-11/h3-4,11,15H,1-2,5-8,10H2/t11-/m0/s1.
What are the key properties of 3-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrazine-2-carbonitrile?
3-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 258.33 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 91406817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).