7-(3-amino-1,2-thiazol-5-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C9H13N5OS — CID 103359130

IUPAC7-(3-amino-1,2-thiazol-5-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNc1cc(N2CCN3C(=O)NCC3C2)sn1
InChIInChI=1S/C9H13N5OS/c10-7-3-8(16-12-7)13-1-2-14-6(5-13)4-11-9(14)15/h3,6H,1-2,4-5H2,(H2,10,12)(H,11,15)
InChIKeyUKORPYUFCPYNFN-UHFFFAOYSA-N
MW239.30 g/mol
LogP-0.06
Rot. Bonds1

About 7-(3-amino-1,2-thiazol-5-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-(3-amino-1,2-thiazol-5-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 103359130) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 7-(3-amino-1,2-thiazol-5-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(3-amino-1,2-thiazol-5-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID103359130
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name7-(3-amino-1,2-thiazol-5-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNc1cc(N2CCN3C(=O)NCC3C2)sn1
InChIInChI=1S/C9H13N5OS/c10-7-3-8(16-12-7)13-1-2-14-6(5-13)4-11-9(14)15/h3,6H,1-2,4-5H2,(H2,10,12)(H,11,15)
InChIKeyUKORPYUFCPYNFN-UHFFFAOYSA-N
XLogP-0.06
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-1,2-thiazol-5-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(3-amino-1,2-thiazol-5-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 103359130) is 7-(3-amino-1,2-thiazol-5-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(3-amino-1,2-thiazol-5-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(3-amino-1,2-thiazol-5-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Nc1cc(N2CCN3C(=O)NCC3C2)sn1.
What is the InChIKey of 7-(3-amino-1,2-thiazol-5-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is UKORPYUFCPYNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c10-7-3-8(16-12-7)13-1-2-14-6(5-13)4-11-9(14)15/h3,6H,1-2,4-5H2,(H2,10,12)(H,11,15).
What are the key properties of 7-(3-amino-1,2-thiazol-5-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(3-amino-1,2-thiazol-5-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 239.30 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-1,2-thiazol-5-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 103359130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).