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

C11H13N7O — CID 5424495

IUPAC2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
SMILESCc1ccccc1/C=N\NC(=O)Cn1nnc(N)n1
InChIInChI=1S/C11H13N7O/c1-8-4-2-3-5-9(8)6-13-14-10(19)7-18-16-11(12)15-17-18/h2-6H,7H2,1H3,(H2,12,16)(H,14,19)/b13-6-
InChIKeyPJYDTCXVMZBUHX-MLPAPPSSSA-N
MW259.27 g/mol
LogP-0.29
Rot. Bonds4

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

2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide (PubChem CID 5424495) has the molecular formula C11H13N7O and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
PubChem CID5424495
Molecular FormulaC11H13N7O
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
SMILESCc1ccccc1/C=N\NC(=O)Cn1nnc(N)n1
InChIInChI=1S/C11H13N7O/c1-8-4-2-3-5-9(8)6-13-14-10(19)7-18-16-11(12)15-17-18/h2-6H,7H2,1H3,(H2,12,16)(H,14,19)/b13-6-
InChIKeyPJYDTCXVMZBUHX-MLPAPPSSSA-N
XLogP-0.29
TPSA111.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 5-0.29
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-[(2-fluorophenyl)methylideneamino]acetamide
CID 948163
2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 5424503
2-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 947907
2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 948248
2-(5-aminotetrazol-2-yl)-N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 6884699
2-(5-phenyltetrazol-2-yl)-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
CID 8524097
2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 948256
N-[(Z)-(4-methylphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7728239
N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805
2-(5-aminotetrazol-2-yl)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide
CID 6884488
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 6885338
ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate
CID 6861612

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide (CID 5424495) is 2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide is Cc1ccccc1/C=N\NC(=O)Cn1nnc(N)n1.
What is the InChIKey of 2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide?
The InChIKey is PJYDTCXVMZBUHX-MLPAPPSSSA-N. The full InChI is InChI=1S/C11H13N7O/c1-8-4-2-3-5-9(8)6-13-14-10(19)7-18-16-11(12)15-17-18/h2-6H,7H2,1H3,(H2,12,16)(H,14,19)/b13-6-.
What are the key properties of 2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide?
2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide has a molecular weight of 259.27 g/mol, XLogP of -0.29, 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-[(Z)-(2-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5424495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).