2-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

C8H13FN4O — CID 130165198

IUPAC2-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)(C)F)c1ncn[nH]1
InChIInChI=1S/C8H13FN4O/c1-5(6-10-4-11-13-6)12-7(14)8(2,3)9/h4-5H,1-3H3,(H,12,14)(H,10,11,13)
InChIKeyWIUMANBBXWTMTK-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.73
Rot. Bonds3

About 2-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

2-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (PubChem CID 130165198) has the molecular formula C8H13FN4O and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
PubChem CID130165198
Molecular FormulaC8H13FN4O
Molecular Weight200.22 g/mol
Exact Mass200.11
IUPAC Name2-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)(C)F)c1ncn[nH]1
InChIInChI=1S/C8H13FN4O/c1-5(6-10-4-11-13-6)12-7(14)8(2,3)9/h4-5H,1-3H3,(H,12,14)(H,10,11,13)
InChIKeyWIUMANBBXWTMTK-UHFFFAOYSA-N
XLogP0.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (CID 130165198) is 2-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is CC(NC(=O)C(C)(C)F)c1ncn[nH]1.
What is the InChIKey of 2-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The InChIKey is WIUMANBBXWTMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4O/c1-5(6-10-4-11-13-6)12-7(14)8(2,3)9/h4-5H,1-3H3,(H,12,14)(H,10,11,13).
What are the key properties of 2-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
2-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide has a molecular weight of 200.22 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 130165198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).