2,2,2-trichloro-N-(2-ethyltetrazol-5-yl)acetamide

C5H6Cl3N5O — CID 40607474

IUPAC2,2,2-trichloro-N-(2-ethyltetrazol-5-yl)acetamide
SMILESCCn1nnc(NC(=O)C(Cl)(Cl)Cl)n1
InChIInChI=1S/C5H6Cl3N5O/c1-2-13-11-4(10-12-13)9-3(14)5(6,7)8/h2H2,1H3,(H,9,11,14)
InChIKeyBJLDZUUXKIKKJU-UHFFFAOYSA-N
MW258.50 g/mol
LogP1.00
Rot. Bonds2

About 2,2,2-trichloro-N-(2-ethyltetrazol-5-yl)acetamide

2,2,2-trichloro-N-(2-ethyltetrazol-5-yl)acetamide (PubChem CID 40607474) has the molecular formula C5H6Cl3N5O and a molecular weight of 258.50 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(2-ethyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(2-ethyltetrazol-5-yl)acetamide
PubChem CID40607474
Molecular FormulaC5H6Cl3N5O
Molecular Weight258.50 g/mol
Exact Mass256.96
IUPAC Name2,2,2-trichloro-N-(2-ethyltetrazol-5-yl)acetamide
SMILESCCn1nnc(NC(=O)C(Cl)(Cl)Cl)n1
InChIInChI=1S/C5H6Cl3N5O/c1-2-13-11-4(10-12-13)9-3(14)5(6,7)8/h2H2,1H3,(H,9,11,14)
InChIKeyBJLDZUUXKIKKJU-UHFFFAOYSA-N
XLogP1.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.50
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(2-ethyltetrazol-5-yl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(2-ethyltetrazol-5-yl)acetamide (CID 40607474) is 2,2,2-trichloro-N-(2-ethyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(2-ethyltetrazol-5-yl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(2-ethyltetrazol-5-yl)acetamide is CCn1nnc(NC(=O)C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2,2,2-trichloro-N-(2-ethyltetrazol-5-yl)acetamide?
The InChIKey is BJLDZUUXKIKKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl3N5O/c1-2-13-11-4(10-12-13)9-3(14)5(6,7)8/h2H2,1H3,(H,9,11,14).
What are the key properties of 2,2,2-trichloro-N-(2-ethyltetrazol-5-yl)acetamide?
2,2,2-trichloro-N-(2-ethyltetrazol-5-yl)acetamide has a molecular weight of 258.50 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(2-ethyltetrazol-5-yl)acetamide is sourced from PubChem (CID 40607474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).