N,N-diethyl-2-[(5R)-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine

C18H32N4O — CID 124824476

IUPACN,N-diethyl-2-[(5R)-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine
SMILESCCN(CC)CC[C@@H]1CN(CC2CCOCC2)Cc2cncn21
InChIInChI=1S/C18H32N4O/c1-3-20(4-2)8-5-17-13-21(12-16-6-9-23-10-7-16)14-18-11-19-15-22(17)18/h11,15-17H,3-10,12-14H2,1-2H3/t17-/m1/s1
InChIKeyJFZAOVWWWHICJB-QGZVFWFLSA-N
MW320.48 g/mol
LogP2.40
Rot. Bonds7

About N,N-diethyl-2-[(5R)-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine

N,N-diethyl-2-[(5R)-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine (PubChem CID 124824476) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is N,N-diethyl-2-[(5R)-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[(5R)-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine
PubChem CID124824476
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC NameN,N-diethyl-2-[(5R)-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine
SMILESCCN(CC)CC[C@@H]1CN(CC2CCOCC2)Cc2cncn21
InChIInChI=1S/C18H32N4O/c1-3-20(4-2)8-5-17-13-21(12-16-6-9-23-10-7-16)14-18-11-19-15-22(17)18/h11,15-17H,3-10,12-14H2,1-2H3/t17-/m1/s1
InChIKeyJFZAOVWWWHICJB-QGZVFWFLSA-N
XLogP2.40
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine
CID 131677517
7-[(2-methoxyphenyl)methyl]-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 131643028
N-[[(5R)-7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124782697
7-(oxan-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131660552
N-ethyl-N-[[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine
CID 131658527
N,N-diethyl-2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanamine
CID 124825585
2-methylsulfonyl-1-[(5R)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 124783213
(4R)-4-[2-(oxan-4-ylmethoxy)ethyl]-2-(oxan-4-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 124893517
2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155863702
[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(3-hydroxyphenyl)methanone;2,2,2-trifluoroacetic acid
CID 155865409
1-[(5S)-5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone
CID 124824224
(5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124788803

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(5R)-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[(5R)-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine (CID 124824476) is N,N-diethyl-2-[(5R)-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[(5R)-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[(5R)-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine is CCN(CC)CC[C@@H]1CN(CC2CCOCC2)Cc2cncn21.
What is the InChIKey of N,N-diethyl-2-[(5R)-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine?
The InChIKey is JFZAOVWWWHICJB-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H32N4O/c1-3-20(4-2)8-5-17-13-21(12-16-6-9-23-10-7-16)14-18-11-19-15-22(17)18/h11,15-17H,3-10,12-14H2,1-2H3/t17-/m1/s1.
What are the key properties of N,N-diethyl-2-[(5R)-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine?
N,N-diethyl-2-[(5R)-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine has a molecular weight of 320.48 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(5R)-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine is sourced from PubChem (CID 124824476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).