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

C10H15N5O2 — CID 62685981

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,2,5-oxadiazol-3-yl)methanone
SMILESNc1nonc1C(=O)N1CCN2CCCC2C1
InChIInChI=1S/C10H15N5O2/c11-9-8(12-17-13-9)10(16)15-5-4-14-3-1-2-7(14)6-15/h7H,1-6H2,(H2,11,13)
InChIKeyWUWXZCCDNBRMBC-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.43
Rot. Bonds1

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

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,2,5-oxadiazol-3-yl)methanone (PubChem CID 62685981) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,2,5-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,2,5-oxadiazol-3-yl)methanone
PubChem CID62685981
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,2,5-oxadiazol-3-yl)methanone
SMILESNc1nonc1C(=O)N1CCN2CCCC2C1
InChIInChI=1S/C10H15N5O2/c11-9-8(12-17-13-9)10(16)15-5-4-14-3-1-2-7(14)6-15/h7H,1-6H2,(H2,11,13)
InChIKeyWUWXZCCDNBRMBC-UHFFFAOYSA-N
XLogP-0.43
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,2,5-oxadiazol-3-yl)methanone with MolForge

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Related Compounds

(4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 62687633
(4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63167078
(4-amino-1,2,5-oxadiazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63633859
[4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone
CID 11452890
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone
CID 62081826
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 78942270
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]methanone
CID 116671231
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(1-methylpyrazol-4-yl)methanone
CID 128954239
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,3-dimethylpyrazol-5-yl)methanone
CID 66122825
(4-amino-1,2,5-oxadiazol-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 62686709
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1H-indazol-3-yl)methanone
CID 11715985
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1-methylpyrrol-2-yl)methanone
CID 61108285

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,2,5-oxadiazol-3-yl)methanone?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,2,5-oxadiazol-3-yl)methanone (CID 62685981) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,2,5-oxadiazol-3-yl)methanone.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,2,5-oxadiazol-3-yl)methanone?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,2,5-oxadiazol-3-yl)methanone is Nc1nonc1C(=O)N1CCN2CCCC2C1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,2,5-oxadiazol-3-yl)methanone?
The InChIKey is WUWXZCCDNBRMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c11-9-8(12-17-13-9)10(16)15-5-4-14-3-1-2-7(14)6-15/h7H,1-6H2,(H2,11,13).
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,2,5-oxadiazol-3-yl)methanone?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,2,5-oxadiazol-3-yl)methanone has a molecular weight of 237.26 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,2,5-oxadiazol-3-yl)methanone is sourced from PubChem (CID 62685981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).