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

C11H20N6S — CID 79945518

IUPAC[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiadiazol-5-yl]hydrazine
SMILESCC1CN2CCCC2CN1Cc1nnsc1NN
InChIInChI=1S/C11H20N6S/c1-8-5-16-4-2-3-9(16)6-17(8)7-10-11(13-12)18-15-14-10/h8-9,13H,2-7,12H2,1H3
InChIKeyJWXVGACLAJRJCL-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.49
Rot. Bonds3

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

[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiadiazol-5-yl]hydrazine (PubChem CID 79945518) has the molecular formula C11H20N6S and a molecular weight of 268.39 g/mol. Its IUPAC name is [4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiadiazol-5-yl]hydrazine
PubChem CID79945518
Molecular FormulaC11H20N6S
Molecular Weight268.39 g/mol
Exact Mass268.15
IUPAC Name[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiadiazol-5-yl]hydrazine
SMILESCC1CN2CCCC2CN1Cc1nnsc1NN
InChIInChI=1S/C11H20N6S/c1-8-5-16-4-2-3-9(16)6-17(8)7-10-11(13-12)18-15-14-10/h8-9,13H,2-7,12H2,1H3
InChIKeyJWXVGACLAJRJCL-UHFFFAOYSA-N
XLogP0.49
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiadiazol-5-yl]hydrazine with MolForge

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Related Compounds

5-chloro-4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]thiadiazole
CID 113237768
[5-chloro-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]hydrazine
CID 79946279
3-[1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62480438
2-ethyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734151
2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943682
(3S)-2-[(4-chlorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211166
(3R)-3-methyl-2-[(5-phenyl-2H-triazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211314
N-methyl-1-[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methanamine
CID 79945683
(3R,8aR)-3-methyl-2-[(5-methylthiophen-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792176
(3R,8aR)-3-methyl-2-(thiophen-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792153
trimethyl-[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]silane
CID 103438477
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-methylthiadiazol-5-amine
CID 63634062

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiadiazol-5-yl]hydrazine (CID 79945518) is [4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiadiazol-5-yl]hydrazine is CC1CN2CCCC2CN1Cc1nnsc1NN.
What is the InChIKey of [4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiadiazol-5-yl]hydrazine?
The InChIKey is JWXVGACLAJRJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6S/c1-8-5-16-4-2-3-9(16)6-17(8)7-10-11(13-12)18-15-14-10/h8-9,13H,2-7,12H2,1H3.
What are the key properties of [4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiadiazol-5-yl]hydrazine?
[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiadiazol-5-yl]hydrazine has a molecular weight of 268.39 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 79945518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).