2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C17H29N5O — CID 97467462

IUPAC2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCN1CCN(Cc2cn3c(n2)CN(C2CCOCC2)CC3)CC1
InChIInChI=1S/C17H29N5O/c1-19-4-6-20(7-5-19)12-15-13-22-9-8-21(14-17(22)18-15)16-2-10-23-11-3-16/h13,16H,2-12,14H2,1H3
InChIKeyBLHGSTIBSFHUGA-UHFFFAOYSA-N
MW319.45 g/mol
LogP0.63
Rot. Bonds3

About 2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97467462) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97467462
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCN1CCN(Cc2cn3c(n2)CN(C2CCOCC2)CC3)CC1
InChIInChI=1S/C17H29N5O/c1-19-4-6-20(7-5-19)12-15-13-22-9-8-21(14-17(22)18-15)16-2-10-23-11-3-16/h13,16H,2-12,14H2,1H3
InChIKeyBLHGSTIBSFHUGA-UHFFFAOYSA-N
XLogP0.63
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97467462) is 2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CN1CCN(Cc2cn3c(n2)CN(C2CCOCC2)CC3)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is BLHGSTIBSFHUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-19-4-6-20(7-5-19)12-15-13-22-9-8-21(14-17(22)18-15)16-2-10-23-11-3-16/h13,16H,2-12,14H2,1H3.
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 319.45 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97467462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).