N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide

C9H13N3O3 — CID 60957796

IUPACN-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESCCN(CCO)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H13N3O3/c1-2-12(3-4-13)9(15)7-5-11-8(14)6-10-7/h5-6,13H,2-4H2,1H3,(H,11,14)
InChIKeyYWUKAVGQFXDHPX-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.78
Rot. Bonds4

About N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide

N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 60957796) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID60957796
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESCCN(CCO)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H13N3O3/c1-2-12(3-4-13)9(15)7-5-11-8(14)6-10-7/h5-6,13H,2-4H2,1H3,(H,11,14)
InChIKeyYWUKAVGQFXDHPX-UHFFFAOYSA-N
XLogP-0.78
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide (CID 60957796) is N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide is CCN(CCO)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is YWUKAVGQFXDHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-2-12(3-4-13)9(15)7-5-11-8(14)6-10-7/h5-6,13H,2-4H2,1H3,(H,11,14).
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 60957796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).