N-[2-(4-fluorophenyl)propan-2-yl]-2H-triazole-4-carboxamide

C12H13FN4O — CID 110475476

IUPACN-[2-(4-fluorophenyl)propan-2-yl]-2H-triazole-4-carboxamide
SMILESCC(C)(NC(=O)c1cn[nH]n1)c1ccc(F)cc1
InChIInChI=1S/C12H13FN4O/c1-12(2,8-3-5-9(13)6-4-8)15-11(18)10-7-14-17-16-10/h3-7H,1-2H3,(H,15,18)(H,14,16,17)
InChIKeyFPAZCXASYXWUQX-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.61
Rot. Bonds3

About N-[2-(4-fluorophenyl)propan-2-yl]-2H-triazole-4-carboxamide

N-[2-(4-fluorophenyl)propan-2-yl]-2H-triazole-4-carboxamide (PubChem CID 110475476) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)propan-2-yl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)propan-2-yl]-2H-triazole-4-carboxamide
PubChem CID110475476
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC NameN-[2-(4-fluorophenyl)propan-2-yl]-2H-triazole-4-carboxamide
SMILESCC(C)(NC(=O)c1cn[nH]n1)c1ccc(F)cc1
InChIInChI=1S/C12H13FN4O/c1-12(2,8-3-5-9(13)6-4-8)15-11(18)10-7-14-17-16-10/h3-7H,1-2H3,(H,15,18)(H,14,16,17)
InChIKeyFPAZCXASYXWUQX-UHFFFAOYSA-N
XLogP1.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)propan-2-yl]-2H-triazole-4-carboxamide
CID 110475495
N-[2-(4-fluorophenyl)propan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484328
N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 110475487
N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide
CID 110470666
N-[3-(bromomethyl)pentan-3-yl]-2H-triazole-4-carboxamide
CID 114315320
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2H-triazole-4-carboxamide
CID 107868064
5-amino-N-[2-(4-fluorophenyl)propan-2-yl]-1-methylpyrazole-4-carboxamide
CID 82546188
N-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide
CID 47338743
2H-triazole-4-carbohydrazide
CID 50989778
N-[2-(4-fluorophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982858
2-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 82546189
2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide
CID 110440797

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)propan-2-yl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)propan-2-yl]-2H-triazole-4-carboxamide (CID 110475476) is N-[2-(4-fluorophenyl)propan-2-yl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)propan-2-yl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)propan-2-yl]-2H-triazole-4-carboxamide is CC(C)(NC(=O)c1cn[nH]n1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)propan-2-yl]-2H-triazole-4-carboxamide?
The InChIKey is FPAZCXASYXWUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-12(2,8-3-5-9(13)6-4-8)15-11(18)10-7-14-17-16-10/h3-7H,1-2H3,(H,15,18)(H,14,16,17).
What are the key properties of N-[2-(4-fluorophenyl)propan-2-yl]-2H-triazole-4-carboxamide?
N-[2-(4-fluorophenyl)propan-2-yl]-2H-triazole-4-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)propan-2-yl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 110475476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).