4-tert-butyl-3-oxopyrazine-2-carboxamide

C9H13N3O2 — CID 167386662

IUPAC4-tert-butyl-3-oxopyrazine-2-carboxamide
SMILESCC(C)(C)n1ccnc(C(N)=O)c1=O
InChIInChI=1S/C9H13N3O2/c1-9(2,3)12-5-4-11-6(7(10)13)8(12)14/h4-5H,1-3H3,(H2,10,13)
InChIKeyQYGNXHQTENYBGM-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.10
Rot. Bonds1

About 4-tert-butyl-3-oxopyrazine-2-carboxamide

4-tert-butyl-3-oxopyrazine-2-carboxamide (PubChem CID 167386662) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-tert-butyl-3-oxopyrazine-2-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-3-oxopyrazine-2-carboxamide
PubChem CID167386662
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-tert-butyl-3-oxopyrazine-2-carboxamide
SMILESCC(C)(C)n1ccnc(C(N)=O)c1=O
InChIInChI=1S/C9H13N3O2/c1-9(2,3)12-5-4-11-6(7(10)13)8(12)14/h4-5H,1-3H3,(H2,10,13)
InChIKeyQYGNXHQTENYBGM-UHFFFAOYSA-N
XLogP0.10
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-oxopyrazine-2-carboxamide?
The IUPAC name of 4-tert-butyl-3-oxopyrazine-2-carboxamide (CID 167386662) is 4-tert-butyl-3-oxopyrazine-2-carboxamide.
What is the SMILES notation for 4-tert-butyl-3-oxopyrazine-2-carboxamide?
The canonical SMILES for 4-tert-butyl-3-oxopyrazine-2-carboxamide is CC(C)(C)n1ccnc(C(N)=O)c1=O.
What is the InChIKey of 4-tert-butyl-3-oxopyrazine-2-carboxamide?
The InChIKey is QYGNXHQTENYBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-9(2,3)12-5-4-11-6(7(10)13)8(12)14/h4-5H,1-3H3,(H2,10,13).
What are the key properties of 4-tert-butyl-3-oxopyrazine-2-carboxamide?
4-tert-butyl-3-oxopyrazine-2-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-oxopyrazine-2-carboxamide is sourced from PubChem (CID 167386662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).