[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-4-pyridinyl]hydrazine

C12H19N5O2S — CID 79943584

IUPAC[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-4-pyridinyl]hydrazine
SMILESNNc1ccncc1S(=O)(=O)N1CCN2CCCC2C1
InChIInChI=1S/C12H19N5O2S/c13-15-11-3-4-14-8-12(11)20(18,19)17-7-6-16-5-1-2-10(16)9-17/h3-4,8,10H,1-2,5-7,9,13H2,(H,14,15)
InChIKeyBNGKOJSZVZXVOP-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.16
Rot. Bonds3

About [3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-4-pyridinyl]hydrazine

[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-4-pyridinyl]hydrazine (PubChem CID 79943584) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is [3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-4-pyridinyl]hydrazine.

Molecular Properties

Compound Name[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-4-pyridinyl]hydrazine
PubChem CID79943584
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-4-pyridinyl]hydrazine
SMILESNNc1ccncc1S(=O)(=O)N1CCN2CCCC2C1
InChIInChI=1S/C12H19N5O2S/c13-15-11-3-4-14-8-12(11)20(18,19)17-7-6-16-5-1-2-10(16)9-17/h3-4,8,10H,1-2,5-7,9,13H2,(H,14,15)
InChIKeyBNGKOJSZVZXVOP-UHFFFAOYSA-N
XLogP-0.16
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-4-pyridinyl]hydrazine
CID 79165396
[1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]methanol
CID 112626117
[3-(4,4-dimethylazepan-1-yl)sulfonyl-4-pyridinyl]hydrazine
CID 65282984
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
CID 22202524
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylsulfonyl)-1H-pyrazol-5-amine
CID 63151051
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1-methylpyrazol-3-amine
CID 61106261
[2-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]hydrazine
CID 61442784
2-(benzenesulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 6465871
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)benzoic acid
CID 60952156
5-[(dimethylamino)methyl]-1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 66052921
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)phenyl]methanol
CID 79937246
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyridin-2-one
CID 54877089

Frequently Asked Questions

What is the IUPAC name of [3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-4-pyridinyl]hydrazine?
The IUPAC name of [3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-4-pyridinyl]hydrazine (CID 79943584) is [3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-4-pyridinyl]hydrazine.
What is the SMILES notation for [3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-4-pyridinyl]hydrazine?
The canonical SMILES for [3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-4-pyridinyl]hydrazine is NNc1ccncc1S(=O)(=O)N1CCN2CCCC2C1.
What is the InChIKey of [3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-4-pyridinyl]hydrazine?
The InChIKey is BNGKOJSZVZXVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c13-15-11-3-4-14-8-12(11)20(18,19)17-7-6-16-5-1-2-10(16)9-17/h3-4,8,10H,1-2,5-7,9,13H2,(H,14,15).
What are the key properties of [3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-4-pyridinyl]hydrazine?
[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-4-pyridinyl]hydrazine has a molecular weight of 297.38 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-4-pyridinyl]hydrazine is sourced from PubChem (CID 79943584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).