2-[(5-aminothiadiazol-4-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C10H15N5OS — CID 82863304

IUPAC2-[(5-aminothiadiazol-4-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNc1snnc1CN1CCN2C(=O)CCC2C1
InChIInChI=1S/C10H15N5OS/c11-10-8(12-13-17-10)6-14-3-4-15-7(5-14)1-2-9(15)16/h7H,1-6,11H2
InChIKeyYKEFNQIGYIQFPX-UHFFFAOYSA-N
MW253.33 g/mol
LogP-0.07
Rot. Bonds2

About 2-[(5-aminothiadiazol-4-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-[(5-aminothiadiazol-4-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82863304) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-[(5-aminothiadiazol-4-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[(5-aminothiadiazol-4-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82863304
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name2-[(5-aminothiadiazol-4-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNc1snnc1CN1CCN2C(=O)CCC2C1
InChIInChI=1S/C10H15N5OS/c11-10-8(12-13-17-10)6-14-3-4-15-7(5-14)1-2-9(15)16/h7H,1-6,11H2
InChIKeyYKEFNQIGYIQFPX-UHFFFAOYSA-N
XLogP-0.07
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminothiadiazol-4-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[(5-aminothiadiazol-4-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82863304) is 2-[(5-aminothiadiazol-4-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[(5-aminothiadiazol-4-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[(5-aminothiadiazol-4-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is Nc1snnc1CN1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-[(5-aminothiadiazol-4-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is YKEFNQIGYIQFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c11-10-8(12-13-17-10)6-14-3-4-15-7(5-14)1-2-9(15)16/h7H,1-6,11H2.
What are the key properties of 2-[(5-aminothiadiazol-4-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[(5-aminothiadiazol-4-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 253.33 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminothiadiazol-4-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82863304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).