3-(4-tert-butylphenyl)-5-(2H-triazol-4-yl)furo[3,2-b]pyridine

C19H18N4O — CID 162644211

IUPAC3-(4-tert-butylphenyl)-5-(2H-triazol-4-yl)furo[3,2-b]pyridine
SMILESCC(C)(C)c1ccc(-c2coc3ccc(-c4cn[nH]n4)nc23)cc1
InChIInChI=1S/C19H18N4O/c1-19(2,3)13-6-4-12(5-7-13)14-11-24-17-9-8-15(21-18(14)17)16-10-20-23-22-16/h4-11H,1-3H3,(H,20,22,23)
InChIKeyKTGZHJWTKLQHBK-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.58
Rot. Bonds2

About 3-(4-tert-butylphenyl)-5-(2H-triazol-4-yl)furo[3,2-b]pyridine

3-(4-tert-butylphenyl)-5-(2H-triazol-4-yl)furo[3,2-b]pyridine (PubChem CID 162644211) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-5-(2H-triazol-4-yl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-5-(2H-triazol-4-yl)furo[3,2-b]pyridine
PubChem CID162644211
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name3-(4-tert-butylphenyl)-5-(2H-triazol-4-yl)furo[3,2-b]pyridine
SMILESCC(C)(C)c1ccc(-c2coc3ccc(-c4cn[nH]n4)nc23)cc1
InChIInChI=1S/C19H18N4O/c1-19(2,3)13-6-4-12(5-7-13)14-11-24-17-9-8-15(21-18(14)17)16-10-20-23-22-16/h4-11H,1-3H3,(H,20,22,23)
InChIKeyKTGZHJWTKLQHBK-UHFFFAOYSA-N
XLogP4.58
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-5-(2H-triazol-4-yl)furo[3,2-b]pyridine?
The IUPAC name of 3-(4-tert-butylphenyl)-5-(2H-triazol-4-yl)furo[3,2-b]pyridine (CID 162644211) is 3-(4-tert-butylphenyl)-5-(2H-triazol-4-yl)furo[3,2-b]pyridine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-5-(2H-triazol-4-yl)furo[3,2-b]pyridine?
The canonical SMILES for 3-(4-tert-butylphenyl)-5-(2H-triazol-4-yl)furo[3,2-b]pyridine is CC(C)(C)c1ccc(-c2coc3ccc(-c4cn[nH]n4)nc23)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-5-(2H-triazol-4-yl)furo[3,2-b]pyridine?
The InChIKey is KTGZHJWTKLQHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-19(2,3)13-6-4-12(5-7-13)14-11-24-17-9-8-15(21-18(14)17)16-10-20-23-22-16/h4-11H,1-3H3,(H,20,22,23).
What are the key properties of 3-(4-tert-butylphenyl)-5-(2H-triazol-4-yl)furo[3,2-b]pyridine?
3-(4-tert-butylphenyl)-5-(2H-triazol-4-yl)furo[3,2-b]pyridine has a molecular weight of 318.38 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-5-(2H-triazol-4-yl)furo[3,2-b]pyridine is sourced from PubChem (CID 162644211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).