5-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyrazine-2-carbonitrile

C12H15N5 — CID 102683355

IUPAC5-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CC3CCCNC3C2)cn1
InChIInChI=1S/C12H15N5/c13-4-10-5-16-12(6-15-10)17-7-9-2-1-3-14-11(9)8-17/h5-6,9,11,14H,1-3,7-8H2
InChIKeyKPDZBXVUPYFRDN-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.54
Rot. Bonds1

About 5-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyrazine-2-carbonitrile

5-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyrazine-2-carbonitrile (PubChem CID 102683355) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 5-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyrazine-2-carbonitrile
PubChem CID102683355
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name5-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CC3CCCNC3C2)cn1
InChIInChI=1S/C12H15N5/c13-4-10-5-16-12(6-15-10)17-7-9-2-1-3-14-11(9)8-17/h5-6,9,11,14H,1-3,7-8H2
InChIKeyKPDZBXVUPYFRDN-UHFFFAOYSA-N
XLogP0.54
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyrazine-2-carbonitrile with MolForge

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Related Compounds

5-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]pyrazine-2-carbonitrile
CID 102683740
6-pyrazin-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683459
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-methylpyrimidine-4-carbonitrile
CID 107552749
6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]pyridine-3-sulfonamide
CID 102683920
6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyridine-3-carboxamide
CID 102683347
(4aS,7aS)-6-(5-bromopyrimidin-2-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683732
6-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carbonitrile
CID 64587185
5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 104696756
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-5-chlorobenzonitrile
CID 102683821
5-[2-(oxolan-2-yl)morpholin-4-yl]pyrazine-2-carbonitrile
CID 133491078
6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 24746164
(4aR,7aR)-6-(6-chloro-3-pyridinyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;dihydrochloride
CID 87137232

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyrazine-2-carbonitrile (CID 102683355) is 5-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyrazine-2-carbonitrile is N#Cc1cnc(N2CC3CCCNC3C2)cn1.
What is the InChIKey of 5-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyrazine-2-carbonitrile?
The InChIKey is KPDZBXVUPYFRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c13-4-10-5-16-12(6-15-10)17-7-9-2-1-3-14-11(9)8-17/h5-6,9,11,14H,1-3,7-8H2.
What are the key properties of 5-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyrazine-2-carbonitrile?
5-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyrazine-2-carbonitrile has a molecular weight of 229.29 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 102683355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).