3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-amine

C12H18N4 — CID 103739512

IUPAC3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-amine
SMILESNc1nccnc1N1CCC2CCCCC21
InChIInChI=1S/C12H18N4/c13-11-12(15-7-6-14-11)16-8-5-9-3-1-2-4-10(9)16/h6-7,9-10H,1-5,8H2,(H2,13,14)
InChIKeyVJWUMSFITGQEHW-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.83
Rot. Bonds1

About 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-amine

3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-amine (PubChem CID 103739512) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-amine
PubChem CID103739512
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-amine
SMILESNc1nccnc1N1CCC2CCCCC21
InChIInChI=1S/C12H18N4/c13-11-12(15-7-6-14-11)16-8-5-9-3-1-2-4-10(9)16/h6-7,9-10H,1-5,8H2,(H2,13,14)
InChIKeyVJWUMSFITGQEHW-UHFFFAOYSA-N
XLogP1.83
TPSA55.04 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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazine-2-carboximidamide
CID 82751031
3-[(2S)-2-methylpiperidin-1-yl]pyrazin-2-amine
CID 124676124
(4aS,8aR)-1-(3-chloropyrazin-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 129413710
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-methylpyrazol-4-amine
CID 103078773
N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 82752978
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloropyridin-3-amine
CID 82747499
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-amine
CID 102768884
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carbonitrile
CID 103468915
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carboxylic acid
CID 114047324
3-(2-propylpiperidin-1-yl)pyrazin-2-amine
CID 104577126
3-[2-(fluoromethyl)pyrrolidin-1-yl]pyrazin-2-amine
CID 130908577
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxypyrimidin-5-amine
CID 82747186

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-amine?
The IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-amine (CID 103739512) is 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-amine?
The canonical SMILES for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-amine is Nc1nccnc1N1CCC2CCCCC21.
What is the InChIKey of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-amine?
The InChIKey is VJWUMSFITGQEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c13-11-12(15-7-6-14-11)16-8-5-9-3-1-2-4-10(9)16/h6-7,9-10H,1-5,8H2,(H2,13,14).
What are the key properties of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-amine?
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-amine has a molecular weight of 218.30 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 103739512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).