1-(4-chlorophenyl)-1,2,4-triazolidine

C8H10ClN3 — CID 22123541

IUPAC1-(4-chlorophenyl)-1,2,4-triazolidine
SMILESClc1ccc(N2CNCN2)cc1
InChIInChI=1S/C8H10ClN3/c9-7-1-3-8(4-2-7)12-6-10-5-11-12/h1-4,10-11H,5-6H2
InChIKeyWSVKRCBAIODSRF-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.17
Rot. Bonds1

About 1-(4-chlorophenyl)-1,2,4-triazolidine

1-(4-chlorophenyl)-1,2,4-triazolidine (PubChem CID 22123541) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1,2,4-triazolidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1,2,4-triazolidine
PubChem CID22123541
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name1-(4-chlorophenyl)-1,2,4-triazolidine
SMILESClc1ccc(N2CNCN2)cc1
InChIInChI=1S/C8H10ClN3/c9-7-1-3-8(4-2-7)12-6-10-5-11-12/h1-4,10-11H,5-6H2
InChIKeyWSVKRCBAIODSRF-UHFFFAOYSA-N
XLogP1.17
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1,2,4-triazolidine?
The IUPAC name of 1-(4-chlorophenyl)-1,2,4-triazolidine (CID 22123541) is 1-(4-chlorophenyl)-1,2,4-triazolidine.
What is the SMILES notation for 1-(4-chlorophenyl)-1,2,4-triazolidine?
The canonical SMILES for 1-(4-chlorophenyl)-1,2,4-triazolidine is Clc1ccc(N2CNCN2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1,2,4-triazolidine?
The InChIKey is WSVKRCBAIODSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c9-7-1-3-8(4-2-7)12-6-10-5-11-12/h1-4,10-11H,5-6H2.
What are the key properties of 1-(4-chlorophenyl)-1,2,4-triazolidine?
1-(4-chlorophenyl)-1,2,4-triazolidine has a molecular weight of 183.64 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1,2,4-triazolidine is sourced from PubChem (CID 22123541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).