2-(5-aminotetrazol-1-yl)-N-(2,6-dimethylphenyl)acetamide

C11H14N6O — CID 882743

IUPAC2-(5-aminotetrazol-1-yl)-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1nnnc1N
InChIInChI=1S/C11H14N6O/c1-7-4-3-5-8(2)10(7)13-9(18)6-17-11(12)14-15-16-17/h3-5H,6H2,1-2H3,(H,13,18)(H2,12,14,16)
InChIKeyYDXNBDXNCAONFM-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.51
Rot. Bonds3

About 2-(5-aminotetrazol-1-yl)-N-(2,6-dimethylphenyl)acetamide

2-(5-aminotetrazol-1-yl)-N-(2,6-dimethylphenyl)acetamide (PubChem CID 882743) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-N-(2,6-dimethylphenyl)acetamide
PubChem CID882743
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name2-(5-aminotetrazol-1-yl)-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1nnnc1N
InChIInChI=1S/C11H14N6O/c1-7-4-3-5-8(2)10(7)13-9(18)6-17-11(12)14-15-16-17/h3-5H,6H2,1-2H3,(H,13,18)(H2,12,14,16)
InChIKeyYDXNBDXNCAONFM-UHFFFAOYSA-N
XLogP0.51
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-N-(2,6-dimethylphenyl)acetamide (CID 882743) is 2-(5-aminotetrazol-1-yl)-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)Cn1nnnc1N.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is YDXNBDXNCAONFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-7-4-3-5-8(2)10(7)13-9(18)6-17-11(12)14-15-16-17/h3-5H,6H2,1-2H3,(H,13,18)(H2,12,14,16).
What are the key properties of 2-(5-aminotetrazol-1-yl)-N-(2,6-dimethylphenyl)acetamide?
2-(5-aminotetrazol-1-yl)-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 246.27 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 882743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).