7-(oxan-4-ylmethyl)-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-7-ium-6-ol

C15H24N3O2+ — CID 143637832

IUPAC7-(oxan-4-ylmethyl)-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-7-ium-6-ol
SMILESCC(C)C1C(O)=[N+](CC2CCOCC2)Cc2cncn21
InChIInChI=1S/C15H23N3O2/c1-11(2)14-15(19)17(8-12-3-5-20-6-4-12)9-13-7-16-10-18(13)14/h7,10-12,14H,3-6,8-9H2,1-2H3/p+1
InChIKeyALPIPTCRKITMFX-UHFFFAOYSA-O
MW278.38 g/mol
LogP1.99
Rot. Bonds3

About 7-(oxan-4-ylmethyl)-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-7-ium-6-ol

7-(oxan-4-ylmethyl)-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-7-ium-6-ol (PubChem CID 143637832) has the molecular formula C15H24N3O2+ and a molecular weight of 278.38 g/mol. Its IUPAC name is 7-(oxan-4-ylmethyl)-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-7-ium-6-ol.

Molecular Properties

Compound Name7-(oxan-4-ylmethyl)-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-7-ium-6-ol
PubChem CID143637832
Molecular FormulaC15H24N3O2+
Molecular Weight278.38 g/mol
Exact Mass278.19
IUPAC Name7-(oxan-4-ylmethyl)-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-7-ium-6-ol
SMILESCC(C)C1C(O)=[N+](CC2CCOCC2)Cc2cncn21
InChIInChI=1S/C15H23N3O2/c1-11(2)14-15(19)17(8-12-3-5-20-6-4-12)9-13-7-16-10-18(13)14/h7,10-12,14H,3-6,8-9H2,1-2H3/p+1
InChIKeyALPIPTCRKITMFX-UHFFFAOYSA-O
XLogP1.99
TPSA50.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(oxan-4-ylmethyl)-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-7-ium-6-ol?
The IUPAC name of 7-(oxan-4-ylmethyl)-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-7-ium-6-ol (CID 143637832) is 7-(oxan-4-ylmethyl)-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-7-ium-6-ol.
What is the SMILES notation for 7-(oxan-4-ylmethyl)-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-7-ium-6-ol?
The canonical SMILES for 7-(oxan-4-ylmethyl)-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-7-ium-6-ol is CC(C)C1C(O)=[N+](CC2CCOCC2)Cc2cncn21.
What is the InChIKey of 7-(oxan-4-ylmethyl)-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-7-ium-6-ol?
The InChIKey is ALPIPTCRKITMFX-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)14-15(19)17(8-12-3-5-20-6-4-12)9-13-7-16-10-18(13)14/h7,10-12,14H,3-6,8-9H2,1-2H3/p+1.
What are the key properties of 7-(oxan-4-ylmethyl)-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-7-ium-6-ol?
7-(oxan-4-ylmethyl)-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-7-ium-6-ol has a molecular weight of 278.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxan-4-ylmethyl)-5-propan-2-yl-5,8-dihydroimidazo[1,5-a]pyrazin-7-ium-6-ol is sourced from PubChem (CID 143637832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).