2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine

C15H18N4O — CID 63026490

IUPAC2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESc1ccc2c(c1)NCC(CN1CCn3ccnc3C1)O2
InChIInChI=1S/C15H18N4O/c1-2-4-14-13(3-1)17-9-12(20-14)10-18-7-8-19-6-5-16-15(19)11-18/h1-6,12,17H,7-11H2
InChIKeyXPTOIXYQUPPFOY-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.57
Rot. Bonds2

About 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 63026490) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID63026490
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESc1ccc2c(c1)NCC(CN1CCn3ccnc3C1)O2
InChIInChI=1S/C15H18N4O/c1-2-4-14-13(3-1)17-9-12(20-14)10-18-7-8-19-6-5-16-15(19)11-18/h1-6,12,17H,7-11H2
InChIKeyXPTOIXYQUPPFOY-UHFFFAOYSA-N
XLogP1.57
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 63026490) is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine is c1ccc2c(c1)NCC(CN1CCn3ccnc3C1)O2.
What is the InChIKey of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is XPTOIXYQUPPFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-4-14-13(3-1)17-9-12(20-14)10-18-7-8-19-6-5-16-15(19)11-18/h1-6,12,17H,7-11H2.
What are the key properties of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine?
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 270.34 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 63026490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).