2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide

C9H9FN6O — CID 829145

IUPAC2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide
SMILESNc1nnnn1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C9H9FN6O/c10-6-1-3-7(4-2-6)12-8(17)5-16-9(11)13-14-15-16/h1-4H,5H2,(H,12,17)(H2,11,13,15)
InChIKeyWTVKUDJXNWPMGF-UHFFFAOYSA-N
MW236.21 g/mol
LogP0.03
Rot. Bonds3

About 2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide

2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 829145) has the molecular formula C9H9FN6O and a molecular weight of 236.21 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide
PubChem CID829145
Molecular FormulaC9H9FN6O
Molecular Weight236.21 g/mol
Exact Mass236.08
IUPAC Name2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide
SMILESNc1nnnn1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C9H9FN6O/c10-6-1-3-7(4-2-6)12-8(17)5-16-9(11)13-14-15-16/h1-4H,5H2,(H,12,17)(H2,11,13,15)
InChIKeyWTVKUDJXNWPMGF-UHFFFAOYSA-N
XLogP0.03
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(4-fluorophenyl)propanediamide
CID 18174009
2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 71918815
5-cyclobutyl-1-[2-(4-fluoroanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 94935481
2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,3-difluorophenyl)methylideneamino]acetamide
CID 5392623
4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51044126
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 43647382
N-(2,6-dimethylphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]-5-methyltriazole-4-carboxamide
CID 53366030
2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 47256348
5-amino-N-(4-fluorophenyl)-1-[2-(2-methoxyanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20923628
2-(5-tert-butyltetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60548314
N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 8006706
2-[5-(4-amino-1,2,5-oxadiazol-3-yl)tetrazol-1-yl]-N-phenylacetamide
CID 58778266

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide (CID 829145) is 2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide is Nc1nnnn1CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is WTVKUDJXNWPMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN6O/c10-6-1-3-7(4-2-6)12-8(17)5-16-9(11)13-14-15-16/h1-4H,5H2,(H,12,17)(H2,11,13,15).
What are the key properties of 2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide?
2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 236.21 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 829145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).