1-[2-(2,4-dichlorophenyl)prop-2-enyl]-1,2,4-triazole

C11H9Cl2N3 — CID 10587009

IUPAC1-[2-(2,4-dichlorophenyl)prop-2-enyl]-1,2,4-triazole
SMILESC=C(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2N3/c1-8(5-16-7-14-6-15-16)10-3-2-9(12)4-11(10)13/h2-4,6-7H,1,5H2
InChIKeyLIGQIKWAURBLAJ-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.30
Rot. Bonds3

About 1-[2-(2,4-dichlorophenyl)prop-2-enyl]-1,2,4-triazole

1-[2-(2,4-dichlorophenyl)prop-2-enyl]-1,2,4-triazole (PubChem CID 10587009) has the molecular formula C11H9Cl2N3 and a molecular weight of 254.12 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)prop-2-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)prop-2-enyl]-1,2,4-triazole
PubChem CID10587009
Molecular FormulaC11H9Cl2N3
Molecular Weight254.12 g/mol
Exact Mass253.02
IUPAC Name1-[2-(2,4-dichlorophenyl)prop-2-enyl]-1,2,4-triazole
SMILESC=C(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2N3/c1-8(5-16-7-14-6-15-16)10-3-2-9(12)4-11(10)13/h2-4,6-7H,1,5H2
InChIKeyLIGQIKWAURBLAJ-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)prop-2-enyl]-1,2,4-triazole?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)prop-2-enyl]-1,2,4-triazole (CID 10587009) is 1-[2-(2,4-dichlorophenyl)prop-2-enyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)prop-2-enyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)prop-2-enyl]-1,2,4-triazole is C=C(Cn1cncn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)prop-2-enyl]-1,2,4-triazole?
The InChIKey is LIGQIKWAURBLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3/c1-8(5-16-7-14-6-15-16)10-3-2-9(12)4-11(10)13/h2-4,6-7H,1,5H2.
What are the key properties of 1-[2-(2,4-dichlorophenyl)prop-2-enyl]-1,2,4-triazole?
1-[2-(2,4-dichlorophenyl)prop-2-enyl]-1,2,4-triazole has a molecular weight of 254.12 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)prop-2-enyl]-1,2,4-triazole is sourced from PubChem (CID 10587009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).