6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine

C17H19F2N3O — CID 143183461

IUPAC6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)C1=NNC2C=CC(COCc3ccc(F)cc3F)=CN12
InChIInChI=1S/C17H19F2N3O/c1-11(2)17-21-20-16-6-3-12(8-22(16)17)9-23-10-13-4-5-14(18)7-15(13)19/h3-8,11,16,20H,9-10H2,1-2H3
InChIKeyLZVIWBNXEVACLY-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.14
Rot. Bonds5

About 6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine

6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 143183461) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is 6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID143183461
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)C1=NNC2C=CC(COCc3ccc(F)cc3F)=CN12
InChIInChI=1S/C17H19F2N3O/c1-11(2)17-21-20-16-6-3-12(8-22(16)17)9-23-10-13-4-5-14(18)7-15(13)19/h3-8,11,16,20H,9-10H2,1-2H3
InChIKeyLZVIWBNXEVACLY-UHFFFAOYSA-N
XLogP3.14
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 58214144
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CID 64765828
(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63366143
4-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831224
N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221166
6-[(2-fluorophenyl)methyl]-3-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 143183403
1-[(E)-but-2-enyl]-3-[(2,4-difluorophenyl)methoxymethyl]-2-methylpyrrole
CID 140974512
1-[4-[(2,4-difluorophenyl)methoxy]phenyl]ethanol
CID 62196202
1-(ethylsulfanylmethyl)-2,4-difluorobenzene
CID 91657273
4-[(2,4-difluorophenyl)methoxy]-1-methylpyrazole
CID 116794247
5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane
CID 90174590
2-[(2,4-difluorophenyl)methoxy]-N-methylacetohydrazide
CID 116845352

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine (CID 143183461) is 6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine is CC(C)C1=NNC2C=CC(COCc3ccc(F)cc3F)=CN12.
What is the InChIKey of 6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LZVIWBNXEVACLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-11(2)17-21-20-16-6-3-12(8-22(16)17)9-23-10-13-4-5-14(18)7-15(13)19/h3-8,11,16,20H,9-10H2,1-2H3.
What are the key properties of 6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 319.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 143183461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).