2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,3-difluorophenyl)methylideneamino]acetamide

C10H9F2N7O — CID 5392623

IUPAC2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,3-difluorophenyl)methylideneamino]acetamide
SMILESNc1nnnn1CC(=O)N/N=C\c1cccc(F)c1F
InChIInChI=1S/C10H9F2N7O/c11-7-3-1-2-6(9(7)12)4-14-15-8(20)5-19-10(13)16-17-18-19/h1-4H,5H2,(H,15,20)(H2,13,16,18)/b14-4-
InChIKeyYYSGDSUFAGDPFB-CPSFFCFKSA-N
MW281.23 g/mol
LogP-0.32
Rot. Bonds4

About 2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,3-difluorophenyl)methylideneamino]acetamide

2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,3-difluorophenyl)methylideneamino]acetamide (PubChem CID 5392623) has the molecular formula C10H9F2N7O and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,3-difluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,3-difluorophenyl)methylideneamino]acetamide
PubChem CID5392623
Molecular FormulaC10H9F2N7O
Molecular Weight281.23 g/mol
Exact Mass281.08
IUPAC Name2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,3-difluorophenyl)methylideneamino]acetamide
SMILESNc1nnnn1CC(=O)N/N=C\c1cccc(F)c1F
InChIInChI=1S/C10H9F2N7O/c11-7-3-1-2-6(9(7)12)4-14-15-8(20)5-19-10(13)16-17-18-19/h1-4H,5H2,(H,15,20)(H2,13,16,18)/b14-4-
InChIKeyYYSGDSUFAGDPFB-CPSFFCFKSA-N
XLogP-0.32
TPSA111.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 5-0.32
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-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 948077
[(E)-(2,3-difluorophenyl)methylideneamino]urea
CID 10012988
2-(5-aminotetrazol-1-yl)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 5334953
2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6884557
2-(5-aminotetrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 947960
2-(5-aminotetrazol-2-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 948163
2-(5-aminotetrazol-1-yl)-N-[(E)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 6863094
2-(5-aminotetrazol-1-yl)-N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 137101904
2-(5-aminotetrazol-1-yl)-N-[(Z)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 136776045
2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 829145
2-(benzotriazol-1-yl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 5412735
N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4924837

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,3-difluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,3-difluorophenyl)methylideneamino]acetamide (CID 5392623) is 2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,3-difluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,3-difluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,3-difluorophenyl)methylideneamino]acetamide is Nc1nnnn1CC(=O)N/N=C\c1cccc(F)c1F.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,3-difluorophenyl)methylideneamino]acetamide?
The InChIKey is YYSGDSUFAGDPFB-CPSFFCFKSA-N. The full InChI is InChI=1S/C10H9F2N7O/c11-7-3-1-2-6(9(7)12)4-14-15-8(20)5-19-10(13)16-17-18-19/h1-4H,5H2,(H,15,20)(H2,13,16,18)/b14-4-.
What are the key properties of 2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,3-difluorophenyl)methylideneamino]acetamide?
2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,3-difluorophenyl)methylideneamino]acetamide has a molecular weight of 281.23 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,3-difluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 5392623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).