5-(2H-triazol-4-yl)pentanoyl chloride

C7H10ClN3O — CID 86722701

IUPAC5-(2H-triazol-4-yl)pentanoyl chloride
SMILESO=C(Cl)CCCCc1cn[nH]n1
InChIInChI=1S/C7H10ClN3O/c8-7(12)4-2-1-3-6-5-9-11-10-6/h5H,1-4H2,(H,9,10,11)
InChIKeyUOXLDYXWDMRHNY-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.28
Rot. Bonds5

About 5-(2H-triazol-4-yl)pentanoyl chloride

5-(2H-triazol-4-yl)pentanoyl chloride (PubChem CID 86722701) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 5-(2H-triazol-4-yl)pentanoyl chloride.

Molecular Properties

Compound Name5-(2H-triazol-4-yl)pentanoyl chloride
PubChem CID86722701
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name5-(2H-triazol-4-yl)pentanoyl chloride
SMILESO=C(Cl)CCCCc1cn[nH]n1
InChIInChI=1S/C7H10ClN3O/c8-7(12)4-2-1-3-6-5-9-11-10-6/h5H,1-4H2,(H,9,10,11)
InChIKeyUOXLDYXWDMRHNY-UHFFFAOYSA-N
XLogP1.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2H-triazol-4-yl)pentanoyl chloride?
The IUPAC name of 5-(2H-triazol-4-yl)pentanoyl chloride (CID 86722701) is 5-(2H-triazol-4-yl)pentanoyl chloride.
What is the SMILES notation for 5-(2H-triazol-4-yl)pentanoyl chloride?
The canonical SMILES for 5-(2H-triazol-4-yl)pentanoyl chloride is O=C(Cl)CCCCc1cn[nH]n1.
What is the InChIKey of 5-(2H-triazol-4-yl)pentanoyl chloride?
The InChIKey is UOXLDYXWDMRHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c8-7(12)4-2-1-3-6-5-9-11-10-6/h5H,1-4H2,(H,9,10,11).
What are the key properties of 5-(2H-triazol-4-yl)pentanoyl chloride?
5-(2H-triazol-4-yl)pentanoyl chloride has a molecular weight of 187.63 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-triazol-4-yl)pentanoyl chloride is sourced from PubChem (CID 86722701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).