N-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylmorpholine-2-carboxamide

C14H16FN5O2 — CID 71973228

IUPACN-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)Nc2n[nH]c(-c3ccccc3F)n2)C1
InChIInChI=1S/C14H16FN5O2/c1-20-6-7-22-11(8-20)13(21)17-14-16-12(18-19-14)9-4-2-3-5-10(9)15/h2-5,11H,6-8H2,1H3,(H2,16,17,18,19,21)
InChIKeyULAIBIQWSLAEHC-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.88
Rot. Bonds3

About N-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylmorpholine-2-carboxamide

N-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylmorpholine-2-carboxamide (PubChem CID 71973228) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylmorpholine-2-carboxamide
PubChem CID71973228
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC NameN-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)Nc2n[nH]c(-c3ccccc3F)n2)C1
InChIInChI=1S/C14H16FN5O2/c1-20-6-7-22-11(8-20)13(21)17-14-16-12(18-19-14)9-4-2-3-5-10(9)15/h2-5,11H,6-8H2,1H3,(H2,16,17,18,19,21)
InChIKeyULAIBIQWSLAEHC-UHFFFAOYSA-N
XLogP0.88
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylmorpholine-2-carboxamide?
The IUPAC name of N-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylmorpholine-2-carboxamide (CID 71973228) is N-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylmorpholine-2-carboxamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylmorpholine-2-carboxamide is CN1CCOC(C(=O)Nc2n[nH]c(-c3ccccc3F)n2)C1.
What is the InChIKey of N-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylmorpholine-2-carboxamide?
The InChIKey is ULAIBIQWSLAEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O2/c1-20-6-7-22-11(8-20)13(21)17-14-16-12(18-19-14)9-4-2-3-5-10(9)15/h2-5,11H,6-8H2,1H3,(H2,16,17,18,19,21).
What are the key properties of N-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylmorpholine-2-carboxamide?
N-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylmorpholine-2-carboxamide has a molecular weight of 305.31 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 71973228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).