3-[ethyl-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylpropanenitrile

C14H20N6 — CID 80806075

IUPAC3-[ethyl-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylpropanenitrile
SMILESCCNc1cn2ccnc2c(N(CC)CC(C)C#N)n1
InChIInChI=1S/C14H20N6/c1-4-16-12-10-20-7-6-17-13(20)14(18-12)19(5-2)9-11(3)8-15/h6-7,10-11,16H,4-5,9H2,1-3H3
InChIKeyWTTVTGBUXXJTNW-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.15
Rot. Bonds6

About 3-[ethyl-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylpropanenitrile

3-[ethyl-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylpropanenitrile (PubChem CID 80806075) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 3-[ethyl-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylpropanenitrile
PubChem CID80806075
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name3-[ethyl-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylpropanenitrile
SMILESCCNc1cn2ccnc2c(N(CC)CC(C)C#N)n1
InChIInChI=1S/C14H20N6/c1-4-16-12-10-20-7-6-17-13(20)14(18-12)19(5-2)9-11(3)8-15/h6-7,10-11,16H,4-5,9H2,1-3H3
InChIKeyWTTVTGBUXXJTNW-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

6-N-ethyl-8-N-methyl-8-N-(2-methylbutan-2-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80838608
N-ethyl-N-(2-ethylbutyl)-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80895945
6-N,8-N-diethyl-8-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80780048
8-N-cyclopentyl-6-N-ethyl-8-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80775064
3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]propanenitrile
CID 80812098
6-N,8-N,8-N-tripropylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80764672
N-ethyl-8-propan-2-ylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80885373
N-ethyl-2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylpropanamide
CID 103113992
N-ethyl-8-(2-methylpropoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80860201
N-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 107765896
N-ethyl-8-(4-methylpentan-2-yloxy)imidazo[1,2-a]pyrazin-6-amine
CID 80859899
N-ethyl-8-(4-methylpentoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80862180

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylpropanenitrile (CID 80806075) is 3-[ethyl-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylpropanenitrile is CCNc1cn2ccnc2c(N(CC)CC(C)C#N)n1.
What is the InChIKey of 3-[ethyl-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylpropanenitrile?
The InChIKey is WTTVTGBUXXJTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-4-16-12-10-20-7-6-17-13(20)14(18-12)19(5-2)9-11(3)8-15/h6-7,10-11,16H,4-5,9H2,1-3H3.
What are the key properties of 3-[ethyl-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylpropanenitrile?
3-[ethyl-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylpropanenitrile 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-[ethyl-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylpropanenitrile is sourced from PubChem (CID 80806075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).