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

C11H13N7O2 — CID 5424503

IUPAC2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1/C=N\NC(=O)Cn1nnc(N)n1
InChIInChI=1S/C11H13N7O2/c1-20-9-5-3-2-4-8(9)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-
InChIKeyHDCAVQLJIASBOW-MLPAPPSSSA-N
MW275.27 g/mol
LogP-0.59
Rot. Bonds5

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

2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide (PubChem CID 5424503) has the molecular formula C11H13N7O2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
PubChem CID5424503
Molecular FormulaC11H13N7O2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1/C=N\NC(=O)Cn1nnc(N)n1
InChIInChI=1S/C11H13N7O2/c1-20-9-5-3-2-4-8(9)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-
InChIKeyHDCAVQLJIASBOW-MLPAPPSSSA-N
XLogP-0.59
TPSA120.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[(2-fluorophenyl)methylideneamino]acetamide
CID 948163
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-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 947907
2-(5-aminotetrazol-2-yl)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide
CID 6884488
2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 948248
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 5424345
2-(benzotriazol-2-yl)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 5454054
[2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 54609722
2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 948077
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5426268

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide (CID 5424503) is 2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide is COc1ccccc1/C=N\NC(=O)Cn1nnc(N)n1.
What is the InChIKey of 2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is HDCAVQLJIASBOW-MLPAPPSSSA-N. The full InChI is InChI=1S/C11H13N7O2/c1-20-9-5-3-2-4-8(9)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-methoxyphenyl)methylideneamino]acetamide?
2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 275.27 g/mol, XLogP of -0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5424503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).