2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide

C12H15N7O3 — CID 948256

IUPAC2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(C=NNC(=O)Cn2nnc(N)n2)cc1OC
InChIInChI=1S/C12H15N7O3/c1-21-9-4-3-8(5-10(9)22-2)6-14-15-11(20)7-19-17-12(13)16-18-19/h3-6H,7H2,1-2H3,(H2,13,17)(H,15,20)
InChIKeySXCKPUQLRCYBGW-UHFFFAOYSA-N
MW305.30 g/mol
LogP-0.58
Rot. Bonds6

About 2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide

2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide (PubChem CID 948256) has the molecular formula C12H15N7O3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
PubChem CID948256
Molecular FormulaC12H15N7O3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(C=NNC(=O)Cn2nnc(N)n2)cc1OC
InChIInChI=1S/C12H15N7O3/c1-21-9-4-3-8(5-10(9)22-2)6-14-15-11(20)7-19-17-12(13)16-18-19/h3-6H,7H2,1-2H3,(H2,13,17)(H,15,20)
InChIKeySXCKPUQLRCYBGW-UHFFFAOYSA-N
XLogP-0.58
TPSA129.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide
CID 6884488
2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 5424503
2-(5-aminotetrazol-2-yl)-N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 6884699
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524149
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3688564
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 6884617
[2-methoxy-4-[(E)-[[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 171985576
N-[[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 5190942
[2-methoxy-4-[[[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 4599529
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 5424495

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide (CID 948256) is 2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide is COc1ccc(C=NNC(=O)Cn2nnc(N)n2)cc1OC.
What is the InChIKey of 2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is SXCKPUQLRCYBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O3/c1-21-9-4-3-8(5-10(9)22-2)6-14-15-11(20)7-19-17-12(13)16-18-19/h3-6H,7H2,1-2H3,(H2,13,17)(H,15,20).
What are the key properties of 2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide?
2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 305.30 g/mol, XLogP of -0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 948256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).