3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine

C19H24N6O — CID 56871065

IUPAC3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESCC1(C)CC(c2nccn2CCc2nc(-c3cccnc3)n[nH]2)CCO1
InChIInChI=1S/C19H24N6O/c1-19(2)12-14(6-11-26-19)18-21-8-10-25(18)9-5-16-22-17(24-23-16)15-4-3-7-20-13-15/h3-4,7-8,10,13-14H,5-6,9,11-12H2,1-2H3,(H,22,23,24)
InChIKeyTVVRGIXFKQMYSM-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.98
Rot. Bonds5

About 3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine

3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 56871065) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID56871065
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESCC1(C)CC(c2nccn2CCc2nc(-c3cccnc3)n[nH]2)CCO1
InChIInChI=1S/C19H24N6O/c1-19(2)12-14(6-11-26-19)18-21-8-10-25(18)9-5-16-22-17(24-23-16)15-4-3-7-20-13-15/h3-4,7-8,10,13-14H,5-6,9,11-12H2,1-2H3,(H,22,23,24)
InChIKeyTVVRGIXFKQMYSM-UHFFFAOYSA-N
XLogP2.98
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine (CID 56871065) is 3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine is CC1(C)CC(c2nccn2CCc2nc(-c3cccnc3)n[nH]2)CCO1.
What is the InChIKey of 3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is TVVRGIXFKQMYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-19(2)12-14(6-11-26-19)18-21-8-10-25(18)9-5-16-22-17(24-23-16)15-4-3-7-20-13-15/h3-4,7-8,10,13-14H,5-6,9,11-12H2,1-2H3,(H,22,23,24).
What are the key properties of 3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine?
3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 352.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 56871065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).