(6R,8aS)-6-(2-phenylethynyl)-2-pyrazin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C19H20N4 — CID 69120548

IUPAC(6R,8aS)-6-(2-phenylethynyl)-2-pyrazin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC(#C[C@H]1CC[C@H]2CN(c3cnccn3)CCN21)c1ccccc1
InChIInChI=1S/C19H20N4/c1-2-4-16(5-3-1)6-7-17-8-9-18-15-22(12-13-23(17)18)19-14-20-10-11-21-19/h1-5,10-11,14,17-18H,8-9,12-13,15H2/t17-,18-/m0/s1
InChIKeyPOAYLKMYPPQAFJ-ROUUACIJSA-N
MW304.40 g/mol
LogP2.18
Rot. Bonds1

About (6R,8aS)-6-(2-phenylethynyl)-2-pyrazin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(6R,8aS)-6-(2-phenylethynyl)-2-pyrazin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 69120548) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is (6R,8aS)-6-(2-phenylethynyl)-2-pyrazin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(6R,8aS)-6-(2-phenylethynyl)-2-pyrazin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID69120548
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name(6R,8aS)-6-(2-phenylethynyl)-2-pyrazin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC(#C[C@H]1CC[C@H]2CN(c3cnccn3)CCN21)c1ccccc1
InChIInChI=1S/C19H20N4/c1-2-4-16(5-3-1)6-7-17-8-9-18-15-22(12-13-23(17)18)19-14-20-10-11-21-19/h1-5,10-11,14,17-18H,8-9,12-13,15H2/t17-,18-/m0/s1
InChIKeyPOAYLKMYPPQAFJ-ROUUACIJSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (6R,8aS)-6-(2-phenylethynyl)-2-pyrazin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

3-[(8aS)-6-[2-(3-chlorophenyl)ethynyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile
CID 143411490
N-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine
CID 133301489
2-(4-pyrazin-2-ylpiperazin-1-yl)phenol
CID 2572823
2-(3-ethylpiperidin-1-yl)pyrazine
CID 146424567
2-[(3S)-3-pyridin-2-ylpiperidin-1-yl]pyrazine
CID 95817344
(3R)-1-pyrazin-2-ylpyrrolidin-3-amine
CID 56965619
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine
CID 126892909
2-(1-pyrazin-2-ylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 121183729
2-(4-methylsulfanylpiperazin-1-yl)pyrazine
CID 142028272
(3S)-1-pyrazin-2-ylpiperidin-3-amine
CID 86277059
2-[3-(bromomethyl)piperidin-1-yl]pyrazine
CID 80674587
1-(cyclopropanecarbonyl)-4-pyrazin-2-yl-1,4-diazepane-6-carboxylic acid
CID 74244449

Frequently Asked Questions

What is the IUPAC name of (6R,8aS)-6-(2-phenylethynyl)-2-pyrazin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (6R,8aS)-6-(2-phenylethynyl)-2-pyrazin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 69120548) is (6R,8aS)-6-(2-phenylethynyl)-2-pyrazin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (6R,8aS)-6-(2-phenylethynyl)-2-pyrazin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (6R,8aS)-6-(2-phenylethynyl)-2-pyrazin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is C(#C[C@H]1CC[C@H]2CN(c3cnccn3)CCN21)c1ccccc1.
What is the InChIKey of (6R,8aS)-6-(2-phenylethynyl)-2-pyrazin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is POAYLKMYPPQAFJ-ROUUACIJSA-N. The full InChI is InChI=1S/C19H20N4/c1-2-4-16(5-3-1)6-7-17-8-9-18-15-22(12-13-23(17)18)19-14-20-10-11-21-19/h1-5,10-11,14,17-18H,8-9,12-13,15H2/t17-,18-/m0/s1.
What are the key properties of (6R,8aS)-6-(2-phenylethynyl)-2-pyrazin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(6R,8aS)-6-(2-phenylethynyl)-2-pyrazin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 304.40 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8aS)-6-(2-phenylethynyl)-2-pyrazin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 69120548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).