7-tert-butyl-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one

C10H17N3O — CID 121402921

IUPAC7-tert-butyl-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(C)(C)N1CCn2c(c[nH]c2=O)C1
InChIInChI=1S/C10H17N3O/c1-10(2,3)12-4-5-13-8(7-12)6-11-9(13)14/h6H,4-5,7H2,1-3H3,(H,11,14)
InChIKeyZDGVJPDMULXGJA-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.79
Rot. Bonds

About 7-tert-butyl-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one

7-tert-butyl-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 121402921) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 7-tert-butyl-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-tert-butyl-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID121402921
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name7-tert-butyl-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(C)(C)N1CCn2c(c[nH]c2=O)C1
InChIInChI=1S/C10H17N3O/c1-10(2,3)12-4-5-13-8(7-12)6-11-9(13)14/h6H,4-5,7H2,1-3H3,(H,11,14)
InChIKeyZDGVJPDMULXGJA-UHFFFAOYSA-N
XLogP0.79
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-tert-butyl-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one (CID 121402921) is 7-tert-butyl-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-tert-butyl-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-tert-butyl-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one is CC(C)(C)N1CCn2c(c[nH]c2=O)C1.
What is the InChIKey of 7-tert-butyl-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is ZDGVJPDMULXGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2,3)12-4-5-13-8(7-12)6-11-9(13)14/h6H,4-5,7H2,1-3H3,(H,11,14).
What are the key properties of 7-tert-butyl-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one?
7-tert-butyl-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 195.27 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 121402921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).