2-(methylaminomethyl)-7-(oxan-4-yl)imidazo[1,2-a]pyrazin-8-one

C13H18N4O2 — CID 174175801

IUPAC2-(methylaminomethyl)-7-(oxan-4-yl)imidazo[1,2-a]pyrazin-8-one
SMILESCNCc1cn2ccn(C3CCOCC3)c(=O)c2n1
InChIInChI=1S/C13H18N4O2/c1-14-8-10-9-16-4-5-17(13(18)12(16)15-10)11-2-6-19-7-3-11/h4-5,9,11,14H,2-3,6-8H2,1H3
InChIKeySMUXYFFJJFEWMJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.57
Rot. Bonds3

About 2-(methylaminomethyl)-7-(oxan-4-yl)imidazo[1,2-a]pyrazin-8-one

2-(methylaminomethyl)-7-(oxan-4-yl)imidazo[1,2-a]pyrazin-8-one (PubChem CID 174175801) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(methylaminomethyl)-7-(oxan-4-yl)imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-(methylaminomethyl)-7-(oxan-4-yl)imidazo[1,2-a]pyrazin-8-one
PubChem CID174175801
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-(methylaminomethyl)-7-(oxan-4-yl)imidazo[1,2-a]pyrazin-8-one
SMILESCNCc1cn2ccn(C3CCOCC3)c(=O)c2n1
InChIInChI=1S/C13H18N4O2/c1-14-8-10-9-16-4-5-17(13(18)12(16)15-10)11-2-6-19-7-3-11/h4-5,9,11,14H,2-3,6-8H2,1H3
InChIKeySMUXYFFJJFEWMJ-UHFFFAOYSA-N
XLogP0.57
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-7-(oxan-4-yl)imidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 2-(methylaminomethyl)-7-(oxan-4-yl)imidazo[1,2-a]pyrazin-8-one (CID 174175801) is 2-(methylaminomethyl)-7-(oxan-4-yl)imidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-(methylaminomethyl)-7-(oxan-4-yl)imidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-(methylaminomethyl)-7-(oxan-4-yl)imidazo[1,2-a]pyrazin-8-one is CNCc1cn2ccn(C3CCOCC3)c(=O)c2n1.
What is the InChIKey of 2-(methylaminomethyl)-7-(oxan-4-yl)imidazo[1,2-a]pyrazin-8-one?
The InChIKey is SMUXYFFJJFEWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-14-8-10-9-16-4-5-17(13(18)12(16)15-10)11-2-6-19-7-3-11/h4-5,9,11,14H,2-3,6-8H2,1H3.
What are the key properties of 2-(methylaminomethyl)-7-(oxan-4-yl)imidazo[1,2-a]pyrazin-8-one?
2-(methylaminomethyl)-7-(oxan-4-yl)imidazo[1,2-a]pyrazin-8-one has a molecular weight of 262.31 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-7-(oxan-4-yl)imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 174175801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).