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

C18H23N3O — CID 158402730

IUPAC3-benzyl-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESc1ccc(Cc2ncc3n2CCN(C2CCOCC2)C3)cc1
InChIInChI=1S/C18H23N3O/c1-2-4-15(5-3-1)12-18-19-13-17-14-20(8-9-21(17)18)16-6-10-22-11-7-16/h1-5,13,16H,6-12,14H2
InChIKeyGYHMSVHJBKOMHX-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.47
Rot. Bonds3

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

3-benzyl-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 158402730) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-benzyl-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-benzyl-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID158402730
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-benzyl-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESc1ccc(Cc2ncc3n2CCN(C2CCOCC2)C3)cc1
InChIInChI=1S/C18H23N3O/c1-2-4-15(5-3-1)12-18-19-13-17-14-20(8-9-21(17)18)16-6-10-22-11-7-16/h1-5,13,16H,6-12,14H2
InChIKeyGYHMSVHJBKOMHX-UHFFFAOYSA-N
XLogP2.47
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118173675
3-benzyl-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117148816
4-(oxan-4-yl)-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97469034
4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
CID 171913248
7-benzyl-N-methyl-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;deuterio(fluoro)methane;3,7-dibenzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 159055377
2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45188465
1-(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylmethanamine
CID 67242840
7-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;hypochlorous acid
CID 139366893
4-(oxolan-3-yl)-1-phenylpiperazin-2-one
CID 131900443
2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine
CID 110254690
2-[4-(oxan-4-yl)piperazin-1-yl]quinoxaline
CID 146046486
2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine
CID 95810440

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 3-benzyl-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 158402730) is 3-benzyl-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 3-benzyl-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 3-benzyl-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is c1ccc(Cc2ncc3n2CCN(C2CCOCC2)C3)cc1.
What is the InChIKey of 3-benzyl-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is GYHMSVHJBKOMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-2-4-15(5-3-1)12-18-19-13-17-14-20(8-9-21(17)18)16-6-10-22-11-7-16/h1-5,13,16H,6-12,14H2.
What are the key properties of 3-benzyl-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
3-benzyl-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 297.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 158402730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).