2-[3-(5-methylfuran-2-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazol-1-yl]pyridine

C18H18N6O — CID 72868208

IUPAC2-[3-(5-methylfuran-2-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazol-1-yl]pyridine
SMILESCc1ccc(-c2nc(C(C)Cn3cccn3)n(-c3ccccn3)n2)o1
InChIInChI=1S/C18H18N6O/c1-13(12-23-11-5-10-20-23)18-21-17(15-8-7-14(2)25-15)22-24(18)16-6-3-4-9-19-16/h3-11,13H,12H2,1-2H3
InChIKeyHKGQXLFLKNWRFC-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.23
Rot. Bonds5

About 2-[3-(5-methylfuran-2-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazol-1-yl]pyridine

2-[3-(5-methylfuran-2-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazol-1-yl]pyridine (PubChem CID 72868208) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[3-(5-methylfuran-2-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-(5-methylfuran-2-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazol-1-yl]pyridine
PubChem CID72868208
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name2-[3-(5-methylfuran-2-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazol-1-yl]pyridine
SMILESCc1ccc(-c2nc(C(C)Cn3cccn3)n(-c3ccccn3)n2)o1
InChIInChI=1S/C18H18N6O/c1-13(12-23-11-5-10-20-23)18-21-17(15-8-7-14(2)25-15)22-24(18)16-6-3-4-9-19-16/h3-11,13H,12H2,1-2H3
InChIKeyHKGQXLFLKNWRFC-UHFFFAOYSA-N
XLogP3.23
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-(5-methylfuran-2-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazol-1-yl]pyridine with MolForge

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Related Compounds

N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]propanamide
CID 143309402
2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine
CID 50970621
ethane;2-(5-methylpyrazol-1-yl)pyridine
CID 90883598
5-ethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide
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3-(5-methylfuran-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 43324311
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94163440
5-ethyl-3-methyl-1-pyridin-2-ylpyrazol-4-ol
CID 90747187
(2S)-1-[5-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(5-methylfuran-2-yl)-1,2,4-triazol-1-yl]butan-2-ol
CID 97445776
N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine
CID 115977889
N-methyl-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrazol-1-ylpropan-1-amine
CID 77095551
N-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
CID 61271924
2-[3-(2-phenylethyl)-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine
CID 50953513

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methylfuran-2-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 2-[3-(5-methylfuran-2-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazol-1-yl]pyridine (CID 72868208) is 2-[3-(5-methylfuran-2-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-(5-methylfuran-2-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 2-[3-(5-methylfuran-2-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazol-1-yl]pyridine is Cc1ccc(-c2nc(C(C)Cn3cccn3)n(-c3ccccn3)n2)o1.
What is the InChIKey of 2-[3-(5-methylfuran-2-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazol-1-yl]pyridine?
The InChIKey is HKGQXLFLKNWRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-13(12-23-11-5-10-20-23)18-21-17(15-8-7-14(2)25-15)22-24(18)16-6-3-4-9-19-16/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-[3-(5-methylfuran-2-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazol-1-yl]pyridine?
2-[3-(5-methylfuran-2-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazol-1-yl]pyridine has a molecular weight of 334.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methylfuran-2-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 72868208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).