2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

C11H13N7O3 — CID 948077

IUPAC2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(C=NNC(=O)Cn2nnnc2N)c1O
InChIInChI=1S/C11H13N7O3/c1-21-8-4-2-3-7(10(8)20)5-13-14-9(19)6-18-11(12)15-16-17-18/h2-5,20H,6H2,1H3,(H,14,19)(H2,12,15,17)
InChIKeySFNQIPXHBVFGBA-UHFFFAOYSA-N
MW291.27 g/mol
LogP-0.88
Rot. Bonds5

About 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (PubChem CID 948077) has the molecular formula C11H13N7O3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
PubChem CID948077
Molecular FormulaC11H13N7O3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(C=NNC(=O)Cn2nnnc2N)c1O
InChIInChI=1S/C11H13N7O3/c1-21-8-4-2-3-7(10(8)20)5-13-14-9(19)6-18-11(12)15-16-17-18/h2-5,20H,6H2,1H3,(H,14,19)(H2,12,15,17)
InChIKeySFNQIPXHBVFGBA-UHFFFAOYSA-N
XLogP-0.88
TPSA140.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[(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-[(Z)-(2,3-difluorophenyl)methylideneamino]acetamide
CID 5392623
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide
CID 136721160
2-(5-aminotetrazol-1-yl)-N-[(E)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 6863094
2-(3,4-dimethoxyphenyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135579478
2-(5-aminotetrazol-1-yl)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 5334953
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]hexanamide
CID 135458849
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
CID 135458848
2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 5424503

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (CID 948077) is 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is COc1cccc(C=NNC(=O)Cn2nnnc2N)c1O.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is SFNQIPXHBVFGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O3/c1-21-8-4-2-3-7(10(8)20)5-13-14-9(19)6-18-11(12)15-16-17-18/h2-5,20H,6H2,1H3,(H,14,19)(H2,12,15,17).
What are the key properties of 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 291.27 g/mol, XLogP of -0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 948077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).