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

C10H12N6O — CID 28643040

IUPAC2-[5-(3-amino-4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(N)=O)n2)cc1N
InChIInChI=1S/C10H12N6O/c1-6-2-3-7(4-8(6)11)10-13-15-16(14-10)5-9(12)17/h2-4H,5,11H2,1H3,(H2,12,17)
InChIKeySYEZTBUMXHNWCN-UHFFFAOYSA-N
MW232.25 g/mol
LogP-0.28
Rot. Bonds3

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

2-[5-(3-amino-4-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 28643040) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-[5-(3-amino-4-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-(3-amino-4-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID28643040
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name2-[5-(3-amino-4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(N)=O)n2)cc1N
InChIInChI=1S/C10H12N6O/c1-6-2-3-7(4-8(6)11)10-13-15-16(14-10)5-9(12)17/h2-4H,5,11H2,1H3,(H2,12,17)
InChIKeySYEZTBUMXHNWCN-UHFFFAOYSA-N
XLogP-0.28
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-amino-4-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of 2-[5-(3-amino-4-methylphenyl)tetrazol-2-yl]acetamide (CID 28643040) is 2-[5-(3-amino-4-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for 2-[5-(3-amino-4-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for 2-[5-(3-amino-4-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccc(-c2nnn(CC(N)=O)n2)cc1N.
What is the InChIKey of 2-[5-(3-amino-4-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is SYEZTBUMXHNWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-6-2-3-7(4-8(6)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-methylphenyl)tetrazol-2-yl]acetamide?
2-[5-(3-amino-4-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 232.25 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-amino-4-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 28643040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).