2-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C10H15N5O3S — CID 82855437

IUPAC2-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNc1[nH]ncc1S(=O)(=O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C10H15N5O3S/c11-10-8(5-12-13-10)19(17,18)14-3-4-15-7(6-14)1-2-9(15)16/h5,7H,1-4,6H2,(H3,11,12,13)
InChIKeyTYHUBUUKLFORQT-UHFFFAOYSA-N
MW285.33 g/mol
LogP-1.01
Rot. Bonds2

About 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82855437) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82855437
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Name2-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNc1[nH]ncc1S(=O)(=O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C10H15N5O3S/c11-10-8(5-12-13-10)19(17,18)14-3-4-15-7(6-14)1-2-9(15)16/h5,7H,1-4,6H2,(H3,11,12,13)
InChIKeyTYHUBUUKLFORQT-UHFFFAOYSA-N
XLogP-1.01
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82855437) is 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is Nc1[nH]ncc1S(=O)(=O)N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is TYHUBUUKLFORQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c11-10-8(5-12-13-10)19(17,18)14-3-4-15-7(6-14)1-2-9(15)16/h5,7H,1-4,6H2,(H3,11,12,13).
What are the key properties of 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 285.33 g/mol, XLogP of -1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82855437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).