3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2,2-dimethylpropanenitrile

C11H16N4O — CID 154733887

IUPAC3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2,2-dimethylpropanenitrile
SMILESCCn1ccnc(NCC(C)(C)C#N)c1=O
InChIInChI=1S/C11H16N4O/c1-4-15-6-5-13-9(10(15)16)14-8-11(2,3)7-12/h5-6H,4,8H2,1-3H3,(H,13,14)
InChIKeyKAMRWMHSWMSJPD-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.22
Rot. Bonds4

About 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2,2-dimethylpropanenitrile

3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2,2-dimethylpropanenitrile (PubChem CID 154733887) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2,2-dimethylpropanenitrile
PubChem CID154733887
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2,2-dimethylpropanenitrile
SMILESCCn1ccnc(NCC(C)(C)C#N)c1=O
InChIInChI=1S/C11H16N4O/c1-4-15-6-5-13-9(10(15)16)14-8-11(2,3)7-12/h5-6H,4,8H2,1-3H3,(H,13,14)
InChIKeyKAMRWMHSWMSJPD-UHFFFAOYSA-N
XLogP1.22
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-chloro-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one
CID 106142180
3-[(5-amino-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one
CID 106142615
3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one
CID 115407571
1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one
CID 62939492
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetamide
CID 62938604
1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
CID 113327814
1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
CID 62940009
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide
CID 62940018
4-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile
CID 63359624
3-(4-tert-butylanilino)-1-ethylpyrazin-2-one
CID 133446905
1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one
CID 115303205
1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one
CID 104577036

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2,2-dimethylpropanenitrile?
The IUPAC name of 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2,2-dimethylpropanenitrile (CID 154733887) is 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2,2-dimethylpropanenitrile is CCn1ccnc(NCC(C)(C)C#N)c1=O.
What is the InChIKey of 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2,2-dimethylpropanenitrile?
The InChIKey is KAMRWMHSWMSJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-4-15-6-5-13-9(10(15)16)14-8-11(2,3)7-12/h5-6H,4,8H2,1-3H3,(H,13,14).
What are the key properties of 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2,2-dimethylpropanenitrile?
3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2,2-dimethylpropanenitrile has a molecular weight of 220.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2,2-dimethylpropanenitrile is sourced from PubChem (CID 154733887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).