2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-[(2S)-butan-2-yl]acetamide

C11H14N6O — CID 25468663

IUPAC2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)Cn1c(N)nc(C#N)c1C#N
InChIInChI=1S/C11H14N6O/c1-3-7(2)15-10(18)6-17-9(5-13)8(4-12)16-11(17)14/h7H,3,6H2,1-2H3,(H2,14,16)(H,15,18)/t7-/m0/s1
InChIKeyWRHHRIYJYQKHNW-ZETCQYMHSA-N
MW246.27 g/mol
LogP0.12
Rot. Bonds4

About 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-[(2S)-butan-2-yl]acetamide

2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-[(2S)-butan-2-yl]acetamide (PubChem CID 25468663) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-[(2S)-butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-[(2S)-butan-2-yl]acetamide
PubChem CID25468663
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)Cn1c(N)nc(C#N)c1C#N
InChIInChI=1S/C11H14N6O/c1-3-7(2)15-10(18)6-17-9(5-13)8(4-12)16-11(17)14/h7H,3,6H2,1-2H3,(H2,14,16)(H,15,18)/t7-/m0/s1
InChIKeyWRHHRIYJYQKHNW-ZETCQYMHSA-N
XLogP0.12
TPSA120.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-[(2S)-butan-2-yl]acetamide?
The IUPAC name of 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-[(2S)-butan-2-yl]acetamide (CID 25468663) is 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-[(2S)-butan-2-yl]acetamide.
What is the SMILES notation for 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-[(2S)-butan-2-yl]acetamide?
The canonical SMILES for 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-[(2S)-butan-2-yl]acetamide is CC[C@H](C)NC(=O)Cn1c(N)nc(C#N)c1C#N.
What is the InChIKey of 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-[(2S)-butan-2-yl]acetamide?
The InChIKey is WRHHRIYJYQKHNW-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N6O/c1-3-7(2)15-10(18)6-17-9(5-13)8(4-12)16-11(17)14/h7H,3,6H2,1-2H3,(H2,14,16)(H,15,18)/t7-/m0/s1.
What are the key properties of 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-[(2S)-butan-2-yl]acetamide?
2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-[(2S)-butan-2-yl]acetamide has a molecular weight of 246.27 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-[(2S)-butan-2-yl]acetamide is sourced from PubChem (CID 25468663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).