3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carbonitrile

C12H12N6 — CID 82817714

IUPAC3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCn3ccnc3C2)c1N
InChIInChI=1S/C12H12N6/c13-7-9-1-2-16-12(11(9)14)18-6-5-17-4-3-15-10(17)8-18/h1-4H,5-6,8,14H2
InChIKeyVXNAYWUQOWTMCA-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.75
Rot. Bonds1

About 3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carbonitrile

3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carbonitrile (PubChem CID 82817714) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carbonitrile
PubChem CID82817714
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCn3ccnc3C2)c1N
InChIInChI=1S/C12H12N6/c13-7-9-1-2-16-12(11(9)14)18-6-5-17-4-3-15-10(17)8-18/h1-4H,5-6,8,14H2
InChIKeyVXNAYWUQOWTMCA-UHFFFAOYSA-N
XLogP0.75
TPSA83.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carbonitrile (CID 82817714) is 3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carbonitrile is N#Cc1ccnc(N2CCn3ccnc3C2)c1N.
What is the InChIKey of 3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carbonitrile?
The InChIKey is VXNAYWUQOWTMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c13-7-9-1-2-16-12(11(9)14)18-6-5-17-4-3-15-10(17)8-18/h1-4H,5-6,8,14H2.
What are the key properties of 3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carbonitrile?
3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carbonitrile has a molecular weight of 240.27 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 82817714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).