4-(7-methanidyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium-3-yl)morpholine

C11H18N4O — CID 20825784

IUPAC4-(7-methanidyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium-3-yl)morpholine
SMILES[CH2-][NH+]1CCn2c(cnc2N2CCOCC2)C1
InChIInChI=1S/C11H18N4O/c1-13-2-3-15-10(9-13)8-12-11(15)14-4-6-16-7-5-14/h8,13H,1-7,9H2
InChIKeyYLQIRYZWCDRPPW-UHFFFAOYSA-N
MW222.29 g/mol
LogP-1.09
Rot. Bonds1

About 4-(7-methanidyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium-3-yl)morpholine

4-(7-methanidyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium-3-yl)morpholine (PubChem CID 20825784) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(7-methanidyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium-3-yl)morpholine.

Molecular Properties

Compound Name4-(7-methanidyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium-3-yl)morpholine
PubChem CID20825784
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-(7-methanidyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium-3-yl)morpholine
SMILES[CH2-][NH+]1CCn2c(cnc2N2CCOCC2)C1
InChIInChI=1S/C11H18N4O/c1-13-2-3-15-10(9-13)8-12-11(15)14-4-6-16-7-5-14/h8,13H,1-7,9H2
InChIKeyYLQIRYZWCDRPPW-UHFFFAOYSA-N
XLogP-1.09
TPSA34.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methanidyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium-3-yl)morpholine?
The IUPAC name of 4-(7-methanidyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium-3-yl)morpholine (CID 20825784) is 4-(7-methanidyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium-3-yl)morpholine.
What is the SMILES notation for 4-(7-methanidyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium-3-yl)morpholine?
The canonical SMILES for 4-(7-methanidyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium-3-yl)morpholine is [CH2-][NH+]1CCn2c(cnc2N2CCOCC2)C1.
What is the InChIKey of 4-(7-methanidyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium-3-yl)morpholine?
The InChIKey is YLQIRYZWCDRPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-13-2-3-15-10(9-13)8-12-11(15)14-4-6-16-7-5-14/h8,13H,1-7,9H2.
What are the key properties of 4-(7-methanidyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium-3-yl)morpholine?
4-(7-methanidyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium-3-yl)morpholine has a molecular weight of 222.29 g/mol, XLogP of -1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methanidyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium-3-yl)morpholine is sourced from PubChem (CID 20825784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).