N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]cyclopropanecarboxamide

C12H11FN4O — CID 166218163

IUPACN-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2ncn[nH]2)ccc1F)C1CC1
InChIInChI=1S/C12H11FN4O/c13-9-4-3-8(11-14-6-15-17-11)5-10(9)16-12(18)7-1-2-7/h3-7H,1-2H2,(H,16,18)(H,14,15,17)
InChIKeyWSFJYQFEOYBWSL-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.96
Rot. Bonds3

About N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]cyclopropanecarboxamide

N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]cyclopropanecarboxamide (PubChem CID 166218163) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]cyclopropanecarboxamide
PubChem CID166218163
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC NameN-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2ncn[nH]2)ccc1F)C1CC1
InChIInChI=1S/C12H11FN4O/c13-9-4-3-8(11-14-6-15-17-11)5-10(9)16-12(18)7-1-2-7/h3-7H,1-2H2,(H,16,18)(H,14,15,17)
InChIKeyWSFJYQFEOYBWSL-UHFFFAOYSA-N
XLogP1.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]cyclopropanecarboxamide (CID 166218163) is N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]cyclopropanecarboxamide is O=C(Nc1cc(-c2ncn[nH]2)ccc1F)C1CC1.
What is the InChIKey of N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is WSFJYQFEOYBWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c13-9-4-3-8(11-14-6-15-17-11)5-10(9)16-12(18)7-1-2-7/h3-7H,1-2H2,(H,16,18)(H,14,15,17).
What are the key properties of N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]cyclopropanecarboxamide?
N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 246.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 166218163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).