3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]propanenitrile

C14H20N6 — CID 80812098

IUPAC3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]propanenitrile
SMILESCNc1cn2ccnc2c(N(CCC#N)CC(C)C)n1
InChIInChI=1S/C14H20N6/c1-11(2)9-19(7-4-5-15)14-13-17-6-8-20(13)10-12(16-3)18-14/h6,8,10-11,16H,4,7,9H2,1-3H3
InChIKeyKZMOYUGCDQDXKU-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.15
Rot. Bonds6

About 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]propanenitrile

3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]propanenitrile (PubChem CID 80812098) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]propanenitrile
PubChem CID80812098
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]propanenitrile
SMILESCNc1cn2ccnc2c(N(CCC#N)CC(C)C)n1
InChIInChI=1S/C14H20N6/c1-11(2)9-19(7-4-5-15)14-13-17-6-8-20(13)10-12(16-3)18-14/h6,8,10-11,16H,4,7,9H2,1-3H3
InChIKeyKZMOYUGCDQDXKU-UHFFFAOYSA-N
XLogP2.15
TPSA69.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]acetamide
CID 80820321
3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80914110
3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-propan-2-ylamino]propanenitrile
CID 80905178
8-N-ethyl-8-N-(2-methoxyethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80809254
2-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-(2-methylpropyl)amino]acetamide
CID 80901948
2-[(2-amino-2-oxoethyl)-[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetamide
CID 80822958
6-N,8-N-dimethyl-8-N-(3-methylbutan-2-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80793148
N-methyl-2-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-propylamino]acetamide
CID 80806780
6-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-8-amine
CID 79958025
3-[ethyl-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylpropanenitrile
CID 80806075
6-hydrazinyl-N,N-dipropylimidazo[1,2-a]pyrazin-8-amine
CID 80932710
N-ethyl-2-[ethyl-[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetamide
CID 80805238

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]propanenitrile?
The IUPAC name of 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]propanenitrile (CID 80812098) is 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]propanenitrile is CNc1cn2ccnc2c(N(CCC#N)CC(C)C)n1.
What is the InChIKey of 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]propanenitrile?
The InChIKey is KZMOYUGCDQDXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-11(2)9-19(7-4-5-15)14-13-17-6-8-20(13)10-12(16-3)18-14/h6,8,10-11,16H,4,7,9H2,1-3H3.
What are the key properties of 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]propanenitrile?
3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]propanenitrile has a molecular weight of 272.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 80812098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).