2-(5-aminotetrazol-2-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide

C10H10FN7O — CID 948163

IUPAC2-(5-aminotetrazol-2-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide
SMILESNc1nnn(CC(=O)NN=Cc2ccccc2F)n1
InChIInChI=1S/C10H10FN7O/c11-8-4-2-1-3-7(8)5-13-14-9(19)6-18-16-10(12)15-17-18/h1-5H,6H2,(H2,12,16)(H,14,19)
InChIKeyRWUHWXMOFVUTLU-UHFFFAOYSA-N
MW263.24 g/mol
LogP-0.46
Rot. Bonds4

About 2-(5-aminotetrazol-2-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide

2-(5-aminotetrazol-2-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide (PubChem CID 948163) has the molecular formula C10H10FN7O and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-(5-aminotetrazol-2-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-2-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide
PubChem CID948163
Molecular FormulaC10H10FN7O
Molecular Weight263.24 g/mol
Exact Mass263.09
IUPAC Name2-(5-aminotetrazol-2-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide
SMILESNc1nnn(CC(=O)NN=Cc2ccccc2F)n1
InChIInChI=1S/C10H10FN7O/c11-8-4-2-1-3-7(8)5-13-14-9(19)6-18-16-10(12)15-17-18/h1-5H,6H2,(H2,12,16)(H,14,19)
InChIKeyRWUHWXMOFVUTLU-UHFFFAOYSA-N
XLogP-0.46
TPSA111.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 5424495
2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 5424503
2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 948248
2-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 947907
2-(5-aminotetrazol-2-yl)-N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 6884699
2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 948256
[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 117060553
N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide
CID 4059659
2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,3-difluorophenyl)methylideneamino]acetamide
CID 5392623
N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 5340045
N-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 6894704
N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 6902043

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide (CID 948163) is 2-(5-aminotetrazol-2-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-2-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-2-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide is Nc1nnn(CC(=O)NN=Cc2ccccc2F)n1.
What is the InChIKey of 2-(5-aminotetrazol-2-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide?
The InChIKey is RWUHWXMOFVUTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN7O/c11-8-4-2-1-3-7(8)5-13-14-9(19)6-18-16-10(12)15-17-18/h1-5H,6H2,(H2,12,16)(H,14,19).
What are the key properties of 2-(5-aminotetrazol-2-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide?
2-(5-aminotetrazol-2-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide has a molecular weight of 263.24 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-2-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 948163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).