6-cyclopropyl-7-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine

C17H21F2N3O — CID 90460072

IUPAC6-cyclopropyl-7-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1(COc2cc3nncn3cc2C2CC2)CCC(F)(F)CC1
InChIInChI=1S/C17H21F2N3O/c1-16(4-6-17(18,19)7-5-16)10-23-14-8-15-21-20-11-22(15)9-13(14)12-2-3-12/h8-9,11-12H,2-7,10H2,1H3
InChIKeyZAALLFJZUHAPTM-UHFFFAOYSA-N
MW321.37 g/mol
LogP4.20
Rot. Bonds4

About 6-cyclopropyl-7-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine

6-cyclopropyl-7-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 90460072) has the molecular formula C17H21F2N3O and a molecular weight of 321.37 g/mol. Its IUPAC name is 6-cyclopropyl-7-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-cyclopropyl-7-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID90460072
Molecular FormulaC17H21F2N3O
Molecular Weight321.37 g/mol
Exact Mass321.17
IUPAC Name6-cyclopropyl-7-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1(COc2cc3nncn3cc2C2CC2)CCC(F)(F)CC1
InChIInChI=1S/C17H21F2N3O/c1-16(4-6-17(18,19)7-5-16)10-23-14-8-15-21-20-11-22(15)9-13(14)12-2-3-12/h8-9,11-12H,2-7,10H2,1H3
InChIKeyZAALLFJZUHAPTM-UHFFFAOYSA-N
XLogP4.20
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-cyclopropyl-7-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-7-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-cyclopropyl-7-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine (CID 90460072) is 6-cyclopropyl-7-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-cyclopropyl-7-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-cyclopropyl-7-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine is CC1(COc2cc3nncn3cc2C2CC2)CCC(F)(F)CC1.
What is the InChIKey of 6-cyclopropyl-7-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ZAALLFJZUHAPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O/c1-16(4-6-17(18,19)7-5-16)10-23-14-8-15-21-20-11-22(15)9-13(14)12-2-3-12/h8-9,11-12H,2-7,10H2,1H3.
What are the key properties of 6-cyclopropyl-7-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine?
6-cyclopropyl-7-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 321.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-7-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 90460072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).