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

C12H18N4 — CID 90205773

IUPAC4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine
SMILESNc1cnccc1N1CCN2CCC[C@H]2C1
InChIInChI=1S/C12H18N4/c13-11-8-14-4-3-12(11)16-7-6-15-5-1-2-10(15)9-16/h3-4,8,10H,1-2,5-7,9,13H2/t10-/m0/s1
InChIKeyVXXDMIOQWGUXBR-JTQLQIEISA-N
MW218.30 g/mol
LogP0.95
Rot. Bonds1

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

4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine (PubChem CID 90205773) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine
PubChem CID90205773
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine
SMILESNc1cnccc1N1CCN2CCC[C@H]2C1
InChIInChI=1S/C12H18N4/c13-11-8-14-4-3-12(11)16-7-6-15-5-1-2-10(15)9-16/h3-4,8,10H,1-2,5-7,9,13H2/t10-/m0/s1
InChIKeyVXXDMIOQWGUXBR-JTQLQIEISA-N
XLogP0.95
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-3-amine
CID 79940469
N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 81247402
4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133470685
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methanol
CID 105066917
4-(azetidin-1-yl)pyridin-3-amine
CID 115011771
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-chloroaniline
CID 113315828
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine
CID 81197311
7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091949
4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;(3R,4R)-1-(3-amino-4-pyridinyl)-4-(dimethylamino)-4-methylpiperidin-3-ol;4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyridin-3-amine;4-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
CID 159246599
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,1,3-benzoxadiazol-7-amine
CID 79940762
2-isoquinolin-5-yl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79923607
4-piperidin-1-ylpyridin-3-amine;dihydrochloride
CID 86277783

Frequently Asked Questions

What is the IUPAC name of 4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine?
The IUPAC name of 4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine (CID 90205773) is 4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine.
What is the SMILES notation for 4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine?
The canonical SMILES for 4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine is Nc1cnccc1N1CCN2CCC[C@H]2C1.
What is the InChIKey of 4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine?
The InChIKey is VXXDMIOQWGUXBR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N4/c13-11-8-14-4-3-12(11)16-7-6-15-5-1-2-10(15)9-16/h3-4,8,10H,1-2,5-7,9,13H2/t10-/m0/s1.
What are the key properties of 4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine?
4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine has a molecular weight of 218.30 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine is sourced from PubChem (CID 90205773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).