3-[[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile

C19H25N5 — CID 97467324

IUPAC3-[[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile
SMILESCCN(CC)Cc1cn2c(n1)CN(Cc1cccc(C#N)c1)CC2
InChIInChI=1S/C19H25N5/c1-3-22(4-2)13-18-14-24-9-8-23(15-19(24)21-18)12-17-7-5-6-16(10-17)11-20/h5-7,10,14H,3-4,8-9,12-13,15H2,1-2H3
InChIKeyMOWNDIUHXRRSAQ-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.61
Rot. Bonds6

About 3-[[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile

3-[[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile (PubChem CID 97467324) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile
PubChem CID97467324
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name3-[[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile
SMILESCCN(CC)Cc1cn2c(n1)CN(Cc1cccc(C#N)c1)CC2
InChIInChI=1S/C19H25N5/c1-3-22(4-2)13-18-14-24-9-8-23(15-19(24)21-18)12-17-7-5-6-16(10-17)11-20/h5-7,10,14H,3-4,8-9,12-13,15H2,1-2H3
InChIKeyMOWNDIUHXRRSAQ-UHFFFAOYSA-N
XLogP2.61
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]benzonitrile;dihydrochloride
CID 171689891
7-[(6-methyl-2-pyridinyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97467474
3-[(4-ethylpyrazol-1-yl)methyl]benzonitrile
CID 130219655
3-[(4,4-diethylpiperidin-1-yl)methyl]benzonitrile
CID 63160566
3-[(3,3-diethylazetidin-1-yl)methyl]benzonitrile
CID 79687926
3-[(4-phenylpiperazin-1-yl)methyl]benzonitrile
CID 3846774
3-[(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzonitrile
CID 82098398
3-[(5-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile
CID 70906125
3-[[(6R)-6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]benzonitrile
CID 97462652
4-[(3-cyanophenyl)methyl]piperazine-1-carboxylic acid
CID 18662881
3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]benzonitrile
CID 58395433
1-(furan-2-yl)-N-[[7-(furan-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-N-methylmethanamine
CID 97382177

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile?
The IUPAC name of 3-[[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile (CID 97467324) is 3-[[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile.
What is the SMILES notation for 3-[[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile?
The canonical SMILES for 3-[[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile is CCN(CC)Cc1cn2c(n1)CN(Cc1cccc(C#N)c1)CC2.
What is the InChIKey of 3-[[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile?
The InChIKey is MOWNDIUHXRRSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-3-22(4-2)13-18-14-24-9-8-23(15-19(24)21-18)12-17-7-5-6-16(10-17)11-20/h5-7,10,14H,3-4,8-9,12-13,15H2,1-2H3.
What are the key properties of 3-[[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile?
3-[[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile has a molecular weight of 323.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile is sourced from PubChem (CID 97467324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).