N-(3-methylphenyl)-2-(tetrazol-1-yl)acetamide

C10H11N5O — CID 47004705

IUPACN-(3-methylphenyl)-2-(tetrazol-1-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2cnnn2)c1
InChIInChI=1S/C10H11N5O/c1-8-3-2-4-9(5-8)12-10(16)6-15-7-11-13-14-15/h2-5,7H,6H2,1H3,(H,12,16)
InChIKeyVSWNPTRTCXDNJG-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.62
Rot. Bonds3

About N-(3-methylphenyl)-2-(tetrazol-1-yl)acetamide

N-(3-methylphenyl)-2-(tetrazol-1-yl)acetamide (PubChem CID 47004705) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(tetrazol-1-yl)acetamide
PubChem CID47004705
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC NameN-(3-methylphenyl)-2-(tetrazol-1-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2cnnn2)c1
InChIInChI=1S/C10H11N5O/c1-8-3-2-4-9(5-8)12-10(16)6-15-7-11-13-14-15/h2-5,7H,6H2,1H3,(H,12,16)
InChIKeyVSWNPTRTCXDNJG-UHFFFAOYSA-N
XLogP0.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 686169
N-benzyl-2-(tetrazol-1-yl)acetamide
CID 2166167
N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 741078
2-oxo-2-{2-[2-(1H-1,2,4-triazol-1-yl)ethanimidoyl]hydrazino}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16195091
N-(4-chloro-2-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 1477643
N-phenyl-3-(1H-tetrazol-1-yl)propanamide
CID 1511455
Cambridge id 6526014
CID 882743
N-(2-fluorophenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 1511818
2-[4-(2,3-Dimethyl-phenyl)-piperazin-1-yl]-N-(4-tetrazol-1-yl-phenyl)-acetamide
CID 1439317
N-(2,5-dimethylphenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 5296923
2-(3-nitro-1,2,4-triazol-1-yl)-N-(3-phenylphenyl)acetamide
CID 122188138
N-(3-fluorophenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 1511817

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(tetrazol-1-yl)acetamide (CID 47004705) is N-(3-methylphenyl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(tetrazol-1-yl)acetamide is Cc1cccc(NC(=O)Cn2cnnn2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is VSWNPTRTCXDNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-8-3-2-4-9(5-8)12-10(16)6-15-7-11-13-14-15/h2-5,7H,6H2,1H3,(H,12,16).
What are the key properties of N-(3-methylphenyl)-2-(tetrazol-1-yl)acetamide?
N-(3-methylphenyl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 217.23 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 47004705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).