5-(hydroxymethyl)-3-methyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]pyrazine-2-carboxamide

C11H13F3N4O3 — CID 175321481

IUPAC5-(hydroxymethyl)-3-methyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]pyrazine-2-carboxamide
SMILESCc1nc(CO)cnc1C(=O)NCC(=O)NC(F)C(F)F
InChIInChI=1S/C11H13F3N4O3/c1-5-8(15-2-6(4-19)17-5)11(21)16-3-7(20)18-10(14)9(12)13/h2,9-10,19H,3-4H2,1H3,(H,16,21)(H,18,20)
InChIKeySJFAYVPASZWZLL-UHFFFAOYSA-N
MW306.24 g/mol
LogP-0.32
Rot. Bonds6

About 5-(hydroxymethyl)-3-methyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]pyrazine-2-carboxamide

5-(hydroxymethyl)-3-methyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]pyrazine-2-carboxamide (PubChem CID 175321481) has the molecular formula C11H13F3N4O3 and a molecular weight of 306.24 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-methyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-methyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]pyrazine-2-carboxamide
PubChem CID175321481
Molecular FormulaC11H13F3N4O3
Molecular Weight306.24 g/mol
Exact Mass306.09
IUPAC Name5-(hydroxymethyl)-3-methyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]pyrazine-2-carboxamide
SMILESCc1nc(CO)cnc1C(=O)NCC(=O)NC(F)C(F)F
InChIInChI=1S/C11H13F3N4O3/c1-5-8(15-2-6(4-19)17-5)11(21)16-3-7(20)18-10(14)9(12)13/h2,9-10,19H,3-4H2,1H3,(H,16,21)(H,18,20)
InChIKeySJFAYVPASZWZLL-UHFFFAOYSA-N
XLogP-0.32
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 5-(hydroxymethyl)-3-methyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-methyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(hydroxymethyl)-3-methyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]pyrazine-2-carboxamide (CID 175321481) is 5-(hydroxymethyl)-3-methyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(hydroxymethyl)-3-methyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(hydroxymethyl)-3-methyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]pyrazine-2-carboxamide is Cc1nc(CO)cnc1C(=O)NCC(=O)NC(F)C(F)F.
What is the InChIKey of 5-(hydroxymethyl)-3-methyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]pyrazine-2-carboxamide?
The InChIKey is SJFAYVPASZWZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O3/c1-5-8(15-2-6(4-19)17-5)11(21)16-3-7(20)18-10(14)9(12)13/h2,9-10,19H,3-4H2,1H3,(H,16,21)(H,18,20).
What are the key properties of 5-(hydroxymethyl)-3-methyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]pyrazine-2-carboxamide?
5-(hydroxymethyl)-3-methyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]pyrazine-2-carboxamide has a molecular weight of 306.24 g/mol, XLogP of -0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-methyl-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 175321481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).