2-ethyl-5-phenyltetrazole

C9H10N4 — CID 14524424

IUPAC2-ethyl-5-phenyltetrazole
SMILESCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C9H10N4/c1-2-13-11-9(10-12-13)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyIDBMEQUOXCXTOA-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.36
Rot. Bonds2

About 2-ethyl-5-phenyltetrazole

2-ethyl-5-phenyltetrazole (PubChem CID 14524424) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 2-ethyl-5-phenyltetrazole.

Molecular Properties

Compound Name2-ethyl-5-phenyltetrazole
PubChem CID14524424
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name2-ethyl-5-phenyltetrazole
SMILESCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C9H10N4/c1-2-13-11-9(10-12-13)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyIDBMEQUOXCXTOA-UHFFFAOYSA-N
XLogP1.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-phenyltetrazole?
The IUPAC name of 2-ethyl-5-phenyltetrazole (CID 14524424) is 2-ethyl-5-phenyltetrazole.
What is the SMILES notation for 2-ethyl-5-phenyltetrazole?
The canonical SMILES for 2-ethyl-5-phenyltetrazole is CCn1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-ethyl-5-phenyltetrazole?
The InChIKey is IDBMEQUOXCXTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-2-13-11-9(10-12-13)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of 2-ethyl-5-phenyltetrazole?
2-ethyl-5-phenyltetrazole has a molecular weight of 174.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-phenyltetrazole is sourced from PubChem (CID 14524424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).