N-[2-[ethyl-(5-fluoro-2-oxo-1H-pyrazin-3-yl)amino]ethyl]formamide

C9H13FN4O2 — CID 175389080

IUPACN-[2-[ethyl-(5-fluoro-2-oxo-1H-pyrazin-3-yl)amino]ethyl]formamide
SMILESCCN(CCNC=O)c1nc(F)c[nH]c1=O
InChIInChI=1S/C9H13FN4O2/c1-2-14(4-3-11-6-15)8-9(16)12-5-7(10)13-8/h5-6H,2-4H2,1H3,(H,11,15)(H,12,16)
InChIKeyUAPRSCMRZCZJPJ-UHFFFAOYSA-N
MW228.23 g/mol
LogP-0.52
Rot. Bonds6

About N-[2-[ethyl-(5-fluoro-2-oxo-1H-pyrazin-3-yl)amino]ethyl]formamide

N-[2-[ethyl-(5-fluoro-2-oxo-1H-pyrazin-3-yl)amino]ethyl]formamide (PubChem CID 175389080) has the molecular formula C9H13FN4O2 and a molecular weight of 228.23 g/mol. Its IUPAC name is N-[2-[ethyl-(5-fluoro-2-oxo-1H-pyrazin-3-yl)amino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[ethyl-(5-fluoro-2-oxo-1H-pyrazin-3-yl)amino]ethyl]formamide
PubChem CID175389080
Molecular FormulaC9H13FN4O2
Molecular Weight228.23 g/mol
Exact Mass228.10
IUPAC NameN-[2-[ethyl-(5-fluoro-2-oxo-1H-pyrazin-3-yl)amino]ethyl]formamide
SMILESCCN(CCNC=O)c1nc(F)c[nH]c1=O
InChIInChI=1S/C9H13FN4O2/c1-2-14(4-3-11-6-15)8-9(16)12-5-7(10)13-8/h5-6H,2-4H2,1H3,(H,11,15)(H,12,16)
InChIKeyUAPRSCMRZCZJPJ-UHFFFAOYSA-N
XLogP-0.52
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl-(5-fluoro-2-oxo-1H-pyrazin-3-yl)amino]ethyl]formamide?
The IUPAC name of N-[2-[ethyl-(5-fluoro-2-oxo-1H-pyrazin-3-yl)amino]ethyl]formamide (CID 175389080) is N-[2-[ethyl-(5-fluoro-2-oxo-1H-pyrazin-3-yl)amino]ethyl]formamide.
What is the SMILES notation for N-[2-[ethyl-(5-fluoro-2-oxo-1H-pyrazin-3-yl)amino]ethyl]formamide?
The canonical SMILES for N-[2-[ethyl-(5-fluoro-2-oxo-1H-pyrazin-3-yl)amino]ethyl]formamide is CCN(CCNC=O)c1nc(F)c[nH]c1=O.
What is the InChIKey of N-[2-[ethyl-(5-fluoro-2-oxo-1H-pyrazin-3-yl)amino]ethyl]formamide?
The InChIKey is UAPRSCMRZCZJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O2/c1-2-14(4-3-11-6-15)8-9(16)12-5-7(10)13-8/h5-6H,2-4H2,1H3,(H,11,15)(H,12,16).
What are the key properties of N-[2-[ethyl-(5-fluoro-2-oxo-1H-pyrazin-3-yl)amino]ethyl]formamide?
N-[2-[ethyl-(5-fluoro-2-oxo-1H-pyrazin-3-yl)amino]ethyl]formamide has a molecular weight of 228.23 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl-(5-fluoro-2-oxo-1H-pyrazin-3-yl)amino]ethyl]formamide is sourced from PubChem (CID 175389080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).