4-ethyl-N-(2-ethyltetrazol-5-yl)benzamide

C12H15N5O — CID 953045

IUPAC4-ethyl-N-(2-ethyltetrazol-5-yl)benzamide
SMILESCCc1ccc(C(=O)Nc2nnn(CC)n2)cc1
InChIInChI=1S/C12H15N5O/c1-3-9-5-7-10(8-6-9)11(18)13-12-14-16-17(4-2)15-12/h5-8H,3-4H2,1-2H3,(H,13,15,18)
InChIKeyCXLVUYZKSPAZJP-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.51
Rot. Bonds4

About 4-ethyl-N-(2-ethyltetrazol-5-yl)benzamide

4-ethyl-N-(2-ethyltetrazol-5-yl)benzamide (PubChem CID 953045) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-ethyl-N-(2-ethyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(2-ethyltetrazol-5-yl)benzamide
PubChem CID953045
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-ethyl-N-(2-ethyltetrazol-5-yl)benzamide
SMILESCCc1ccc(C(=O)Nc2nnn(CC)n2)cc1
InChIInChI=1S/C12H15N5O/c1-3-9-5-7-10(8-6-9)11(18)13-12-14-16-17(4-2)15-12/h5-8H,3-4H2,1-2H3,(H,13,15,18)
InChIKeyCXLVUYZKSPAZJP-UHFFFAOYSA-N
XLogP1.51
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-ethyltetrazol-5-yl)benzamide?
The IUPAC name of 4-ethyl-N-(2-ethyltetrazol-5-yl)benzamide (CID 953045) is 4-ethyl-N-(2-ethyltetrazol-5-yl)benzamide.
What is the SMILES notation for 4-ethyl-N-(2-ethyltetrazol-5-yl)benzamide?
The canonical SMILES for 4-ethyl-N-(2-ethyltetrazol-5-yl)benzamide is CCc1ccc(C(=O)Nc2nnn(CC)n2)cc1.
What is the InChIKey of 4-ethyl-N-(2-ethyltetrazol-5-yl)benzamide?
The InChIKey is CXLVUYZKSPAZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-3-9-5-7-10(8-6-9)11(18)13-12-14-16-17(4-2)15-12/h5-8H,3-4H2,1-2H3,(H,13,15,18).
What are the key properties of 4-ethyl-N-(2-ethyltetrazol-5-yl)benzamide?
4-ethyl-N-(2-ethyltetrazol-5-yl)benzamide has a molecular weight of 245.29 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-ethyltetrazol-5-yl)benzamide is sourced from PubChem (CID 953045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).