6-[(2,4-difluorophenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C16H19F2N3 — CID 11716870

IUPAC6-[(2,4-difluorophenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2n1CC(Cc1ccc(F)cc1F)CC2
InChIInChI=1S/C16H19F2N3/c1-10(2)16-20-19-15-6-3-11(9-21(15)16)7-12-4-5-13(17)8-14(12)18/h4-5,8,10-11H,3,6-7,9H2,1-2H3
InChIKeyFKHVZGCICRDHOK-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.48
Rot. Bonds3

About 6-[(2,4-difluorophenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

6-[(2,4-difluorophenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 11716870) has the molecular formula C16H19F2N3 and a molecular weight of 291.34 g/mol. Its IUPAC name is 6-[(2,4-difluorophenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[(2,4-difluorophenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID11716870
Molecular FormulaC16H19F2N3
Molecular Weight291.34 g/mol
Exact Mass291.15
IUPAC Name6-[(2,4-difluorophenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2n1CC(Cc1ccc(F)cc1F)CC2
InChIInChI=1S/C16H19F2N3/c1-10(2)16-20-19-15-6-3-11(9-21(15)16)7-12-4-5-13(17)8-14(12)18/h4-5,8,10-11H,3,6-7,9H2,1-2H3
InChIKeyFKHVZGCICRDHOK-UHFFFAOYSA-N
XLogP3.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-difluorophenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[(2,4-difluorophenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 11716870) is 6-[(2,4-difluorophenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[(2,4-difluorophenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[(2,4-difluorophenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1nnc2n1CC(Cc1ccc(F)cc1F)CC2.
What is the InChIKey of 6-[(2,4-difluorophenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is FKHVZGCICRDHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-10(2)16-20-19-15-6-3-11(9-21(15)16)7-12-4-5-13(17)8-14(12)18/h4-5,8,10-11H,3,6-7,9H2,1-2H3.
What are the key properties of 6-[(2,4-difluorophenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
6-[(2,4-difluorophenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 291.34 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorophenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 11716870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).