6-cyclopropyl-7-[(3,5-dichlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine

C16H13Cl2N3O — CID 90455727

IUPAC6-cyclopropyl-7-[(3,5-dichlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cc(Cl)cc(OCc2cc3nncn3cc2C2CC2)c1
InChIInChI=1S/C16H13Cl2N3O/c17-12-4-13(18)6-14(5-12)22-8-11-3-16-20-19-9-21(16)7-15(11)10-1-2-10/h3-7,9-10H,1-2,8H2
InChIKeyCBMXYTVXYQXGJA-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.49
Rot. Bonds4

About 6-cyclopropyl-7-[(3,5-dichlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine

6-cyclopropyl-7-[(3,5-dichlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 90455727) has the molecular formula C16H13Cl2N3O and a molecular weight of 334.21 g/mol. Its IUPAC name is 6-cyclopropyl-7-[(3,5-dichlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-cyclopropyl-7-[(3,5-dichlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID90455727
Molecular FormulaC16H13Cl2N3O
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name6-cyclopropyl-7-[(3,5-dichlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cc(Cl)cc(OCc2cc3nncn3cc2C2CC2)c1
InChIInChI=1S/C16H13Cl2N3O/c17-12-4-13(18)6-14(5-12)22-8-11-3-16-20-19-9-21(16)7-15(11)10-1-2-10/h3-7,9-10H,1-2,8H2
InChIKeyCBMXYTVXYQXGJA-UHFFFAOYSA-N
XLogP4.49
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
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-cyclopropyl-7-[(3,5-dichlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-cyclopropyl-7-[(3,5-dichlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 90455727) is 6-cyclopropyl-7-[(3,5-dichlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-cyclopropyl-7-[(3,5-dichlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-cyclopropyl-7-[(3,5-dichlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine is Clc1cc(Cl)cc(OCc2cc3nncn3cc2C2CC2)c1.
What is the InChIKey of 6-cyclopropyl-7-[(3,5-dichlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is CBMXYTVXYQXGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O/c17-12-4-13(18)6-14(5-12)22-8-11-3-16-20-19-9-21(16)7-15(11)10-1-2-10/h3-7,9-10H,1-2,8H2.
What are the key properties of 6-cyclopropyl-7-[(3,5-dichlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
6-cyclopropyl-7-[(3,5-dichlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 334.21 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-7-[(3,5-dichlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 90455727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).