(8aR)-7-propan-2-yl-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-ol

C9H19N3O — CID 153405031

IUPAC(8aR)-7-propan-2-yl-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-ol
SMILESCC(C)N1CCN2C(O)NC[C@@H]2C1
InChIInChI=1S/C9H19N3O/c1-7(2)11-3-4-12-8(6-11)5-10-9(12)13/h7-10,13H,3-6H2,1-2H3/t8-,9?/m1/s1
InChIKeyLMOXNJZRUPEDJP-VEDVMXKPSA-N
MW185.27 g/mol
LogP-0.74
Rot. Bonds1

About (8aR)-7-propan-2-yl-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-ol

(8aR)-7-propan-2-yl-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-ol (PubChem CID 153405031) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (8aR)-7-propan-2-yl-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-ol.

Molecular Properties

Compound Name(8aR)-7-propan-2-yl-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-ol
PubChem CID153405031
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(8aR)-7-propan-2-yl-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-ol
SMILESCC(C)N1CCN2C(O)NC[C@@H]2C1
InChIInChI=1S/C9H19N3O/c1-7(2)11-3-4-12-8(6-11)5-10-9(12)13/h7-10,13H,3-6H2,1-2H3/t8-,9?/m1/s1
InChIKeyLMOXNJZRUPEDJP-VEDVMXKPSA-N
XLogP-0.74
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 167155883
(2R)-2-methyl-4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 169054191
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
(2R)-2-(methoxymethyl)-4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)piperazine
CID 176725105
6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291266
(2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine
CID 176797151
(7R,8aS)-7-methyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 118230703
(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane
CID 161281609
ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 145315776
[(2S)-1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperazin-2-yl]methanol
CID 170184837
ethane;methane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 160550613

Frequently Asked Questions

What is the IUPAC name of (8aR)-7-propan-2-yl-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-ol?
The IUPAC name of (8aR)-7-propan-2-yl-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-ol (CID 153405031) is (8aR)-7-propan-2-yl-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-ol.
What is the SMILES notation for (8aR)-7-propan-2-yl-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-ol?
The canonical SMILES for (8aR)-7-propan-2-yl-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-ol is CC(C)N1CCN2C(O)NC[C@@H]2C1.
What is the InChIKey of (8aR)-7-propan-2-yl-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-ol?
The InChIKey is LMOXNJZRUPEDJP-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(2)11-3-4-12-8(6-11)5-10-9(12)13/h7-10,13H,3-6H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of (8aR)-7-propan-2-yl-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-ol?
(8aR)-7-propan-2-yl-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-ol has a molecular weight of 185.27 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-propan-2-yl-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-ol is sourced from PubChem (CID 153405031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).