2,6-dimethoxy-N-(2H-tetrazol-5-yl)benzamide

C10H11N5O3 — CID 879615

IUPAC2,6-dimethoxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nn[nH]n1
InChIInChI=1S/C10H11N5O3/c1-17-6-4-3-5-7(18-2)8(6)9(16)11-10-12-14-15-13-10/h3-5H,1-2H3,(H2,11,12,13,14,15,16)
InChIKeySPAMEISLLQZPPP-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.47
Rot. Bonds4

About 2,6-dimethoxy-N-(2H-tetrazol-5-yl)benzamide

2,6-dimethoxy-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 879615) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(2H-tetrazol-5-yl)benzamide
PubChem CID879615
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name2,6-dimethoxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nn[nH]n1
InChIInChI=1S/C10H11N5O3/c1-17-6-4-3-5-7(18-2)8(6)9(16)11-10-12-14-15-13-10/h3-5H,1-2H3,(H2,11,12,13,14,15,16)
InChIKeySPAMEISLLQZPPP-UHFFFAOYSA-N
XLogP0.47
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(2H-tetrazol-5-yl)benzamide (CID 879615) is 2,6-dimethoxy-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(2H-tetrazol-5-yl)benzamide is COc1cccc(OC)c1C(=O)Nc1nn[nH]n1.
What is the InChIKey of 2,6-dimethoxy-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is SPAMEISLLQZPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-17-6-4-3-5-7(18-2)8(6)9(16)11-10-12-14-15-13-10/h3-5H,1-2H3,(H2,11,12,13,14,15,16).
What are the key properties of 2,6-dimethoxy-N-(2H-tetrazol-5-yl)benzamide?
2,6-dimethoxy-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 249.23 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 879615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).