4-acetyl-3,5-dihydro-2H-pyrazine-5-carboxamide

C7H11N3O2 — CID 54090529

IUPAC4-acetyl-3,5-dihydro-2H-pyrazine-5-carboxamide
SMILESCC(=O)N1CCN=CC1C(N)=O
InChIInChI=1S/C7H11N3O2/c1-5(11)10-3-2-9-4-6(10)7(8)12/h4,6H,2-3H2,1H3,(H2,8,12)
InChIKeyMTNKYOCWQUADBX-UHFFFAOYSA-N
MW169.18 g/mol
LogP-1.23
Rot. Bonds1

About 4-acetyl-3,5-dihydro-2H-pyrazine-5-carboxamide

4-acetyl-3,5-dihydro-2H-pyrazine-5-carboxamide (PubChem CID 54090529) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-acetyl-3,5-dihydro-2H-pyrazine-5-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dihydro-2H-pyrazine-5-carboxamide
PubChem CID54090529
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-acetyl-3,5-dihydro-2H-pyrazine-5-carboxamide
SMILESCC(=O)N1CCN=CC1C(N)=O
InChIInChI=1S/C7H11N3O2/c1-5(11)10-3-2-9-4-6(10)7(8)12/h4,6H,2-3H2,1H3,(H2,8,12)
InChIKeyMTNKYOCWQUADBX-UHFFFAOYSA-N
XLogP-1.23
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dihydro-2H-pyrazine-5-carboxamide?
The IUPAC name of 4-acetyl-3,5-dihydro-2H-pyrazine-5-carboxamide (CID 54090529) is 4-acetyl-3,5-dihydro-2H-pyrazine-5-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dihydro-2H-pyrazine-5-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dihydro-2H-pyrazine-5-carboxamide is CC(=O)N1CCN=CC1C(N)=O.
What is the InChIKey of 4-acetyl-3,5-dihydro-2H-pyrazine-5-carboxamide?
The InChIKey is MTNKYOCWQUADBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5(11)10-3-2-9-4-6(10)7(8)12/h4,6H,2-3H2,1H3,(H2,8,12).
What are the key properties of 4-acetyl-3,5-dihydro-2H-pyrazine-5-carboxamide?
4-acetyl-3,5-dihydro-2H-pyrazine-5-carboxamide has a molecular weight of 169.18 g/mol, XLogP of -1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,5-dihydro-2H-pyrazine-5-carboxamide is sourced from PubChem (CID 54090529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).