6-chloro-3-(5-chloro-2-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine

C15H13Cl2N3O — CID 39771078

IUPAC6-chloro-3-(5-chloro-2-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)Oc1ccc(Cl)cc1-c1nnc2ccc(Cl)cn12
InChIInChI=1S/C15H13Cl2N3O/c1-9(2)21-13-5-3-10(16)7-12(13)15-19-18-14-6-4-11(17)8-20(14)15/h3-9H,1-2H3
InChIKeyNKHRSEZGSLSGSA-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.49
Rot. Bonds3

About 6-chloro-3-(5-chloro-2-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine

6-chloro-3-(5-chloro-2-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 39771078) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 6-chloro-3-(5-chloro-2-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-(5-chloro-2-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID39771078
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name6-chloro-3-(5-chloro-2-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)Oc1ccc(Cl)cc1-c1nnc2ccc(Cl)cn12
InChIInChI=1S/C15H13Cl2N3O/c1-9(2)21-13-5-3-10(16)7-12(13)15-19-18-14-6-4-11(17)8-20(14)15/h3-9H,1-2H3
InChIKeyNKHRSEZGSLSGSA-UHFFFAOYSA-N
XLogP4.49
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(5-chloro-2-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-chloro-3-(5-chloro-2-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 39771078) is 6-chloro-3-(5-chloro-2-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-chloro-3-(5-chloro-2-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-chloro-3-(5-chloro-2-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is CC(C)Oc1ccc(Cl)cc1-c1nnc2ccc(Cl)cn12.
What is the InChIKey of 6-chloro-3-(5-chloro-2-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is NKHRSEZGSLSGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-9(2)21-13-5-3-10(16)7-12(13)15-19-18-14-6-4-11(17)8-20(14)15/h3-9H,1-2H3.
What are the key properties of 6-chloro-3-(5-chloro-2-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-chloro-3-(5-chloro-2-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 322.20 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(5-chloro-2-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 39771078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).