2-methyl-4-[3-[6-(2-methylpropoxy)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyridine

C17H19N5O — CID 46882215

IUPAC2-methyl-4-[3-[6-(2-methylpropoxy)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyridine
SMILESCc1cc(-c2nc(-c3ccc(OCC(C)C)nc3)n[nH]2)ccn1
InChIInChI=1S/C17H19N5O/c1-11(2)10-23-15-5-4-14(9-19-15)17-20-16(21-22-17)13-6-7-18-12(3)8-13/h4-9,11H,10H2,1-3H3,(H,20,21,22)
InChIKeySYKIMJPTDXJGOG-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.27
Rot. Bonds5

About 2-methyl-4-[3-[6-(2-methylpropoxy)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyridine

2-methyl-4-[3-[6-(2-methylpropoxy)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyridine (PubChem CID 46882215) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-methyl-4-[3-[6-(2-methylpropoxy)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyridine.

Molecular Properties

Compound Name2-methyl-4-[3-[6-(2-methylpropoxy)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyridine
PubChem CID46882215
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-methyl-4-[3-[6-(2-methylpropoxy)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyridine
SMILESCc1cc(-c2nc(-c3ccc(OCC(C)C)nc3)n[nH]2)ccn1
InChIInChI=1S/C17H19N5O/c1-11(2)10-23-15-5-4-14(9-19-15)17-20-16(21-22-17)13-6-7-18-12(3)8-13/h4-9,11H,10H2,1-3H3,(H,20,21,22)
InChIKeySYKIMJPTDXJGOG-UHFFFAOYSA-N
XLogP3.27
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-[6-(2-methylpropoxy)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyridine?
The IUPAC name of 2-methyl-4-[3-[6-(2-methylpropoxy)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyridine (CID 46882215) is 2-methyl-4-[3-[6-(2-methylpropoxy)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyridine.
What is the SMILES notation for 2-methyl-4-[3-[6-(2-methylpropoxy)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyridine?
The canonical SMILES for 2-methyl-4-[3-[6-(2-methylpropoxy)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyridine is Cc1cc(-c2nc(-c3ccc(OCC(C)C)nc3)n[nH]2)ccn1.
What is the InChIKey of 2-methyl-4-[3-[6-(2-methylpropoxy)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyridine?
The InChIKey is SYKIMJPTDXJGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11(2)10-23-15-5-4-14(9-19-15)17-20-16(21-22-17)13-6-7-18-12(3)8-13/h4-9,11H,10H2,1-3H3,(H,20,21,22).
What are the key properties of 2-methyl-4-[3-[6-(2-methylpropoxy)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyridine?
2-methyl-4-[3-[6-(2-methylpropoxy)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyridine has a molecular weight of 309.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-[6-(2-methylpropoxy)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyridine is sourced from PubChem (CID 46882215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).