[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]methanamine

C12H19N5 — CID 79940812

IUPAC[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]methanamine
SMILESNCc1cnc(N2CCN3CCCC3C2)cn1
InChIInChI=1S/C12H19N5/c13-6-10-7-15-12(8-14-10)17-5-4-16-3-1-2-11(16)9-17/h7-8,11H,1-6,9,13H2
InChIKeyMSRWFXSPZQVSQA-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.22
Rot. Bonds2

About [5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]methanamine

[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]methanamine (PubChem CID 79940812) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is [5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]methanamine
PubChem CID79940812
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]methanamine
SMILESNCc1cnc(N2CCN3CCCC3C2)cn1
InChIInChI=1S/C12H19N5/c13-6-10-7-15-12(8-14-10)17-5-4-16-3-1-2-11(16)9-17/h7-8,11H,1-6,9,13H2
InChIKeyMSRWFXSPZQVSQA-UHFFFAOYSA-N
XLogP0.22
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine
CID 80635052
2-[5-(aminomethyl)pyrazin-2-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857162
2-(5-chloro-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79035612
(8aR)-2-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129429947
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-chloro-4-pyridinyl]methanamine
CID 114926380
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline
CID 98763151
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-amine
CID 78954925
[5-(4-piperidin-1-ylpiperidin-1-yl)pyrazin-2-yl]methanol
CID 107372731
[1-[5-(hydroxymethyl)pyrazin-2-yl]piperidin-3-yl]methanol
CID 107372633
[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]hydrazine
CID 80929365
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
CID 79935281
1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane
CID 133454485

Frequently Asked Questions

What is the IUPAC name of [5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]methanamine?
The IUPAC name of [5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]methanamine (CID 79940812) is [5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]methanamine?
The canonical SMILES for [5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]methanamine is NCc1cnc(N2CCN3CCCC3C2)cn1.
What is the InChIKey of [5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]methanamine?
The InChIKey is MSRWFXSPZQVSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c13-6-10-7-15-12(8-14-10)17-5-4-16-3-1-2-11(16)9-17/h7-8,11H,1-6,9,13H2.
What are the key properties of [5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]methanamine?
[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]methanamine has a molecular weight of 233.32 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 79940812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).