N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide

C10H11N5O — CID 855910

IUPACN-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(-n2cnnn2)ccc1C
InChIInChI=1S/C10H11N5O/c1-7-3-4-9(15-6-11-13-14-15)5-10(7)12-8(2)16/h3-6H,1-2H3,(H,12,16)
InChIKeyIIMBATGGJJDMIA-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.93
Rot. Bonds2

About N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide

N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 855910) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
PubChem CID855910
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC NameN-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(-n2cnnn2)ccc1C
InChIInChI=1S/C10H11N5O/c1-7-3-4-9(15-6-11-13-14-15)5-10(7)12-8(2)16/h3-6H,1-2H3,(H,12,16)
InChIKeyIIMBATGGJJDMIA-UHFFFAOYSA-N
XLogP0.93
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 16776027
2-methyl-3-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 2114008
2-methyl-5-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 686452
N-[4-methyl-3-(1H-tetraazol-1-yl)phenyl]benzamide
CID 855937
4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 855944
N-(2,5-dimethylphenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 5296923
N-[4-(1H-tetrazol-1-yl)phenyl]acetamide
CID 539520
N-(3-methylphenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 5297177
8-methyl-6-(tetrazol-1-yl)-1H-quinolin-2-one
CID 14450298
1H-Tetrazole-5-acetamide, N-(4-methylphenyl)-
CID 3054057
1H-Tetrazole-5-acetamide, N-(2-methylphenyl)-
CID 3054058
3-methyl-N-[4-(1H-tetrazol-1-yl)phenyl]butanamide
CID 17012348

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide (CID 855910) is N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide is CC(=O)Nc1cc(-n2cnnn2)ccc1C.
What is the InChIKey of N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is IIMBATGGJJDMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-7-3-4-9(15-6-11-13-14-15)5-10(7)12-8(2)16/h3-6H,1-2H3,(H,12,16).
What are the key properties of N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide?
N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 217.23 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 855910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).