3-[6-[1-(3-fluorophenyl)triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile

C20H19FN8 — CID 73223288

IUPAC3-[6-[1-(3-fluorophenyl)triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN2C(CCC2c2cn(-c3cccc(F)c3)nn2)C1
InChIInChI=1S/C20H19FN8/c21-14-2-1-3-15(10-14)29-13-18(25-26-29)19-5-4-16-12-27(8-9-28(16)19)20-17(11-22)23-6-7-24-20/h1-3,6-7,10,13,16,19H,4-5,8-9,12H2
InChIKeyNZQBEEFNBGZZGL-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.09
Rot. Bonds3

About 3-[6-[1-(3-fluorophenyl)triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile

3-[6-[1-(3-fluorophenyl)triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile (PubChem CID 73223288) has the molecular formula C20H19FN8 and a molecular weight of 390.43 g/mol. Its IUPAC name is 3-[6-[1-(3-fluorophenyl)triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[6-[1-(3-fluorophenyl)triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile
PubChem CID73223288
Molecular FormulaC20H19FN8
Molecular Weight390.43 g/mol
Exact Mass390.17
IUPAC Name3-[6-[1-(3-fluorophenyl)triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN2C(CCC2c2cn(-c3cccc(F)c3)nn2)C1
InChIInChI=1S/C20H19FN8/c21-14-2-1-3-15(10-14)29-13-18(25-26-29)19-5-4-16-12-27(8-9-28(16)19)20-17(11-22)23-6-7-24-20/h1-3,6-7,10,13,16,19H,4-5,8-9,12H2
InChIKeyNZQBEEFNBGZZGL-UHFFFAOYSA-N
XLogP2.09
TPSA86.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[6-[1-(3-fluorophenyl)triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-(3-fluorophenyl)triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[6-[1-(3-fluorophenyl)triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile (CID 73223288) is 3-[6-[1-(3-fluorophenyl)triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[6-[1-(3-fluorophenyl)triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[6-[1-(3-fluorophenyl)triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCN2C(CCC2c2cn(-c3cccc(F)c3)nn2)C1.
What is the InChIKey of 3-[6-[1-(3-fluorophenyl)triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile?
The InChIKey is NZQBEEFNBGZZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN8/c21-14-2-1-3-15(10-14)29-13-18(25-26-29)19-5-4-16-12-27(8-9-28(16)19)20-17(11-22)23-6-7-24-20/h1-3,6-7,10,13,16,19H,4-5,8-9,12H2.
What are the key properties of 3-[6-[1-(3-fluorophenyl)triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile?
3-[6-[1-(3-fluorophenyl)triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile has a molecular weight of 390.43 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-(3-fluorophenyl)triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 73223288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).