3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole

C11H10Cl3N3 — CID 65499865

IUPAC3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nnc(Cl)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl3N3/c1-6(2)10-15-16-11(14)17(10)9-7(12)4-3-5-8(9)13/h3-6H,1-2H3
InChIKeyDAKHUXWLBBYMBS-UHFFFAOYSA-N
MW290.58 g/mol
LogP4.35
Rot. Bonds2

About 3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole

3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole (PubChem CID 65499865) has the molecular formula C11H10Cl3N3 and a molecular weight of 290.58 g/mol. Its IUPAC name is 3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole
PubChem CID65499865
Molecular FormulaC11H10Cl3N3
Molecular Weight290.58 g/mol
Exact Mass288.99
IUPAC Name3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nnc(Cl)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl3N3/c1-6(2)10-15-16-11(14)17(10)9-7(12)4-3-5-8(9)13/h3-6H,1-2H3
InChIKeyDAKHUXWLBBYMBS-UHFFFAOYSA-N
XLogP4.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.58
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole (CID 65499865) is 3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole is CC(C)c1nnc(Cl)n1-c1c(Cl)cccc1Cl.
What is the InChIKey of 3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole?
The InChIKey is DAKHUXWLBBYMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3N3/c1-6(2)10-15-16-11(14)17(10)9-7(12)4-3-5-8(9)13/h3-6H,1-2H3.
What are the key properties of 3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole?
3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole has a molecular weight of 290.58 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 65499865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).