3-ethoxy-N-(2-methyltetrazol-5-yl)benzamide

C11H13N5O2 — CID 953440

IUPAC3-ethoxy-N-(2-methyltetrazol-5-yl)benzamide
SMILESCCOc1cccc(C(=O)Nc2nnn(C)n2)c1
InChIInChI=1S/C11H13N5O2/c1-3-18-9-6-4-5-8(7-9)10(17)12-11-13-15-16(2)14-11/h4-7H,3H2,1-2H3,(H,12,14,17)
InChIKeyQUQSTKZNAZQZRQ-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.86
Rot. Bonds4

About 3-ethoxy-N-(2-methyltetrazol-5-yl)benzamide

3-ethoxy-N-(2-methyltetrazol-5-yl)benzamide (PubChem CID 953440) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-ethoxy-N-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-methyltetrazol-5-yl)benzamide
PubChem CID953440
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name3-ethoxy-N-(2-methyltetrazol-5-yl)benzamide
SMILESCCOc1cccc(C(=O)Nc2nnn(C)n2)c1
InChIInChI=1S/C11H13N5O2/c1-3-18-9-6-4-5-8(7-9)10(17)12-11-13-15-16(2)14-11/h4-7H,3H2,1-2H3,(H,12,14,17)
InChIKeyQUQSTKZNAZQZRQ-UHFFFAOYSA-N
XLogP0.86
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of 3-ethoxy-N-(2-methyltetrazol-5-yl)benzamide (CID 953440) is 3-ethoxy-N-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 3-ethoxy-N-(2-methyltetrazol-5-yl)benzamide is CCOc1cccc(C(=O)Nc2nnn(C)n2)c1.
What is the InChIKey of 3-ethoxy-N-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is QUQSTKZNAZQZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-3-18-9-6-4-5-8(7-9)10(17)12-11-13-15-16(2)14-11/h4-7H,3H2,1-2H3,(H,12,14,17).
What are the key properties of 3-ethoxy-N-(2-methyltetrazol-5-yl)benzamide?
3-ethoxy-N-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 247.26 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 953440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).