2-[5-(3-amino-4-methoxyphenyl)tetrazol-2-yl]acetamide

C10H12N6O2 — CID 43831132

IUPAC2-[5-(3-amino-4-methoxyphenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(-c2nnn(CC(N)=O)n2)cc1N
InChIInChI=1S/C10H12N6O2/c1-18-8-3-2-6(4-7(8)11)10-13-15-16(14-10)5-9(12)17/h2-4H,5,11H2,1H3,(H2,12,17)
InChIKeyKKHIBVUZKXPHPB-UHFFFAOYSA-N
MW248.25 g/mol
LogP-0.58
Rot. Bonds4

About 2-[5-(3-amino-4-methoxyphenyl)tetrazol-2-yl]acetamide

2-[5-(3-amino-4-methoxyphenyl)tetrazol-2-yl]acetamide (PubChem CID 43831132) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-[5-(3-amino-4-methoxyphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-(3-amino-4-methoxyphenyl)tetrazol-2-yl]acetamide
PubChem CID43831132
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name2-[5-(3-amino-4-methoxyphenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(-c2nnn(CC(N)=O)n2)cc1N
InChIInChI=1S/C10H12N6O2/c1-18-8-3-2-6(4-7(8)11)10-13-15-16(14-10)5-9(12)17/h2-4H,5,11H2,1H3,(H2,12,17)
InChIKeyKKHIBVUZKXPHPB-UHFFFAOYSA-N
XLogP-0.58
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[5-(3-amino-4-methylphenyl)tetrazol-2-yl]acetamide
CID 28643040
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate
CID 7353447
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetate
CID 8678093
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 7467499
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1164686
2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide
CID 17046913
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 18777968
[2-(azocan-1-yl)-2-oxoethyl] 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetate
CID 8678145
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetate
CID 8678146
5-(3,4-dimethoxyphenyl)-2-(2-methylsulfonylethyl)tetrazole
CID 55410639
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 7887102
2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 30823221

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-amino-4-methoxyphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of 2-[5-(3-amino-4-methoxyphenyl)tetrazol-2-yl]acetamide (CID 43831132) is 2-[5-(3-amino-4-methoxyphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for 2-[5-(3-amino-4-methoxyphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for 2-[5-(3-amino-4-methoxyphenyl)tetrazol-2-yl]acetamide is COc1ccc(-c2nnn(CC(N)=O)n2)cc1N.
What is the InChIKey of 2-[5-(3-amino-4-methoxyphenyl)tetrazol-2-yl]acetamide?
The InChIKey is KKHIBVUZKXPHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-18-8-3-2-6(4-7(8)11)10-13-15-16(14-10)5-9(12)17/h2-4H,5,11H2,1H3,(H2,12,17).
What are the key properties of 2-[5-(3-amino-4-methoxyphenyl)tetrazol-2-yl]acetamide?
2-[5-(3-amino-4-methoxyphenyl)tetrazol-2-yl]acetamide has a molecular weight of 248.25 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-amino-4-methoxyphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 43831132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).