8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C19H33N5O — CID 134076563

IUPAC8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC1c2ncc(CN3CCN(C)CC3)n2CCN1CC1CCOCC1
InChIInChI=1S/C19H33N5O/c1-16-19-20-13-18(15-22-7-5-21(2)6-8-22)24(19)10-9-23(16)14-17-3-11-25-12-4-17/h13,16-17H,3-12,14-15H2,1-2H3
InChIKeyUSYUISUKSSNBIN-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.43
Rot. Bonds4

About 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 134076563) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID134076563
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC1c2ncc(CN3CCN(C)CC3)n2CCN1CC1CCOCC1
InChIInChI=1S/C19H33N5O/c1-16-19-20-13-18(15-22-7-5-21(2)6-8-22)24(19)10-9-23(16)14-17-3-11-25-12-4-17/h13,16-17H,3-12,14-15H2,1-2H3
InChIKeyUSYUISUKSSNBIN-UHFFFAOYSA-N
XLogP1.43
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 134076563) is 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CC1c2ncc(CN3CCN(C)CC3)n2CCN1CC1CCOCC1.
What is the InChIKey of 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is USYUISUKSSNBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-16-19-20-13-18(15-22-7-5-21(2)6-8-22)24(19)10-9-23(16)14-17-3-11-25-12-4-17/h13,16-17H,3-12,14-15H2,1-2H3.
What are the key properties of 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 347.51 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 134076563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).