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

C9H10N4O — CID 63025576

IUPAC3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropanenitrile
SMILESN#CCC(=O)N1CCn2ccnc2C1
InChIInChI=1S/C9H10N4O/c10-2-1-9(14)13-6-5-12-4-3-11-8(12)7-13/h3-4H,1,5-7H2
InChIKeySEMLGEBJTLRLOX-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.14
Rot. Bonds1

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

3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropanenitrile (PubChem CID 63025576) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropanenitrile
PubChem CID63025576
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropanenitrile
SMILESN#CCC(=O)N1CCn2ccnc2C1
InChIInChI=1S/C9H10N4O/c10-2-1-9(14)13-6-5-12-4-3-11-8(12)7-13/h3-4H,1,5-7H2
InChIKeySEMLGEBJTLRLOX-UHFFFAOYSA-N
XLogP0.14
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropanenitrile?
The IUPAC name of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropanenitrile (CID 63025576) is 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropanenitrile.
What is the SMILES notation for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropanenitrile?
The canonical SMILES for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropanenitrile is N#CCC(=O)N1CCn2ccnc2C1.
What is the InChIKey of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropanenitrile?
The InChIKey is SEMLGEBJTLRLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c10-2-1-9(14)13-6-5-12-4-3-11-8(12)7-13/h3-4H,1,5-7H2.
What are the key properties of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropanenitrile?
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropanenitrile has a molecular weight of 190.21 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropanenitrile is sourced from PubChem (CID 63025576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).