3-methyl-7-propan-2-yl-1,5,6,8a-tetrahydroimidazo[1,5-a]pyrazin-8-one

C10H17N3O — CID 176693627

IUPAC3-methyl-7-propan-2-yl-1,5,6,8a-tetrahydroimidazo[1,5-a]pyrazin-8-one
SMILESCC1=NCC2C(=O)N(C(C)C)CCN12
InChIInChI=1S/C10H17N3O/c1-7(2)12-4-5-13-8(3)11-6-9(13)10(12)14/h7,9H,4-6H2,1-3H3
InChIKeyPKIOVXHPKPEDOV-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.34
Rot. Bonds1

About 3-methyl-7-propan-2-yl-1,5,6,8a-tetrahydroimidazo[1,5-a]pyrazin-8-one

3-methyl-7-propan-2-yl-1,5,6,8a-tetrahydroimidazo[1,5-a]pyrazin-8-one (PubChem CID 176693627) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-methyl-7-propan-2-yl-1,5,6,8a-tetrahydroimidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name3-methyl-7-propan-2-yl-1,5,6,8a-tetrahydroimidazo[1,5-a]pyrazin-8-one
PubChem CID176693627
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-methyl-7-propan-2-yl-1,5,6,8a-tetrahydroimidazo[1,5-a]pyrazin-8-one
SMILESCC1=NCC2C(=O)N(C(C)C)CCN12
InChIInChI=1S/C10H17N3O/c1-7(2)12-4-5-13-8(3)11-6-9(13)10(12)14/h7,9H,4-6H2,1-3H3
InChIKeyPKIOVXHPKPEDOV-UHFFFAOYSA-N
XLogP0.34
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-propan-2-yl-1,5,6,8a-tetrahydroimidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 3-methyl-7-propan-2-yl-1,5,6,8a-tetrahydroimidazo[1,5-a]pyrazin-8-one (CID 176693627) is 3-methyl-7-propan-2-yl-1,5,6,8a-tetrahydroimidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 3-methyl-7-propan-2-yl-1,5,6,8a-tetrahydroimidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 3-methyl-7-propan-2-yl-1,5,6,8a-tetrahydroimidazo[1,5-a]pyrazin-8-one is CC1=NCC2C(=O)N(C(C)C)CCN12.
What is the InChIKey of 3-methyl-7-propan-2-yl-1,5,6,8a-tetrahydroimidazo[1,5-a]pyrazin-8-one?
The InChIKey is PKIOVXHPKPEDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)12-4-5-13-8(3)11-6-9(13)10(12)14/h7,9H,4-6H2,1-3H3.
What are the key properties of 3-methyl-7-propan-2-yl-1,5,6,8a-tetrahydroimidazo[1,5-a]pyrazin-8-one?
3-methyl-7-propan-2-yl-1,5,6,8a-tetrahydroimidazo[1,5-a]pyrazin-8-one has a molecular weight of 195.27 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-propan-2-yl-1,5,6,8a-tetrahydroimidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 176693627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).