1,2,3,5-tetrahydroimidazo[1,5-a]pyrazine-1-carbaldehyde

C7H9N3O — CID 175795659

IUPAC1,2,3,5-tetrahydroimidazo[1,5-a]pyrazine-1-carbaldehyde
SMILESO=CC1NCN2CC=NC=C12
InChIInChI=1S/C7H9N3O/c11-4-6-7-3-8-1-2-10(7)5-9-6/h1,3-4,6,9H,2,5H2
InChIKeyNMCHBJKSMMJCJV-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.66
Rot. Bonds1

About 1,2,3,5-tetrahydroimidazo[1,5-a]pyrazine-1-carbaldehyde

1,2,3,5-tetrahydroimidazo[1,5-a]pyrazine-1-carbaldehyde (PubChem CID 175795659) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 1,2,3,5-tetrahydroimidazo[1,5-a]pyrazine-1-carbaldehyde.

Molecular Properties

Compound Name1,2,3,5-tetrahydroimidazo[1,5-a]pyrazine-1-carbaldehyde
PubChem CID175795659
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name1,2,3,5-tetrahydroimidazo[1,5-a]pyrazine-1-carbaldehyde
SMILESO=CC1NCN2CC=NC=C12
InChIInChI=1S/C7H9N3O/c11-4-6-7-3-8-1-2-10(7)5-9-6/h1,3-4,6,9H,2,5H2
InChIKeyNMCHBJKSMMJCJV-UHFFFAOYSA-N
XLogP-0.66
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrahydroimidazo[1,5-a]pyrazine-1-carbaldehyde?
The IUPAC name of 1,2,3,5-tetrahydroimidazo[1,5-a]pyrazine-1-carbaldehyde (CID 175795659) is 1,2,3,5-tetrahydroimidazo[1,5-a]pyrazine-1-carbaldehyde.
What is the SMILES notation for 1,2,3,5-tetrahydroimidazo[1,5-a]pyrazine-1-carbaldehyde?
The canonical SMILES for 1,2,3,5-tetrahydroimidazo[1,5-a]pyrazine-1-carbaldehyde is O=CC1NCN2CC=NC=C12.
What is the InChIKey of 1,2,3,5-tetrahydroimidazo[1,5-a]pyrazine-1-carbaldehyde?
The InChIKey is NMCHBJKSMMJCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-4-6-7-3-8-1-2-10(7)5-9-6/h1,3-4,6,9H,2,5H2.
What are the key properties of 1,2,3,5-tetrahydroimidazo[1,5-a]pyrazine-1-carbaldehyde?
1,2,3,5-tetrahydroimidazo[1,5-a]pyrazine-1-carbaldehyde has a molecular weight of 151.17 g/mol, XLogP of -0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrahydroimidazo[1,5-a]pyrazine-1-carbaldehyde is sourced from PubChem (CID 175795659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).