3-amino-N,N-diethylpyrazine-2-carboxamide

C9H14N4O — CID 13141221

IUPAC3-amino-N,N-diethylpyrazine-2-carboxamide
SMILESCCN(CC)C(=O)c1nccnc1N
InChIInChI=1S/C9H14N4O/c1-3-13(4-2)9(14)7-8(10)12-6-5-11-7/h5-6H,3-4H2,1-2H3,(H2,10,12)
InChIKeyWAUQKUJHZOUFJB-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.54
Rot. Bonds3

About 3-amino-N,N-diethylpyrazine-2-carboxamide

3-amino-N,N-diethylpyrazine-2-carboxamide (PubChem CID 13141221) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-amino-N,N-diethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-diethylpyrazine-2-carboxamide
PubChem CID13141221
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-amino-N,N-diethylpyrazine-2-carboxamide
SMILESCCN(CC)C(=O)c1nccnc1N
InChIInChI=1S/C9H14N4O/c1-3-13(4-2)9(14)7-8(10)12-6-5-11-7/h5-6H,3-4H2,1-2H3,(H2,10,12)
InChIKeyWAUQKUJHZOUFJB-UHFFFAOYSA-N
XLogP0.54
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-diethylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N,N-diethylpyrazine-2-carboxamide (CID 13141221) is 3-amino-N,N-diethylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-diethylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N,N-diethylpyrazine-2-carboxamide is CCN(CC)C(=O)c1nccnc1N.
What is the InChIKey of 3-amino-N,N-diethylpyrazine-2-carboxamide?
The InChIKey is WAUQKUJHZOUFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-3-13(4-2)9(14)7-8(10)12-6-5-11-7/h5-6H,3-4H2,1-2H3,(H2,10,12).
What are the key properties of 3-amino-N,N-diethylpyrazine-2-carboxamide?
3-amino-N,N-diethylpyrazine-2-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-diethylpyrazine-2-carboxamide is sourced from PubChem (CID 13141221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).