4-[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine

C18H14N4O — CID 654581

IUPAC4-[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine
SMILESCc1ccc(-n2c(-c3ccncc3)nnc2-c2ccco2)cc1
InChIInChI=1S/C18H14N4O/c1-13-4-6-15(7-5-13)22-17(14-8-10-19-11-9-14)20-21-18(22)16-3-2-12-23-16/h2-12H,1H3
InChIKeyFWAVJMVSUSGZHA-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.90
Rot. Bonds3

About 4-[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine

4-[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 654581) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine
PubChem CID654581
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name4-[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine
SMILESCc1ccc(-n2c(-c3ccncc3)nnc2-c2ccco2)cc1
InChIInChI=1S/C18H14N4O/c1-13-4-6-15(7-5-13)22-17(14-8-10-19-11-9-14)20-21-18(22)16-3-2-12-23-16/h2-12H,1H3
InChIKeyFWAVJMVSUSGZHA-UHFFFAOYSA-N
XLogP3.90
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

probe 1.1 [PMID: 24187130]
CID 46245518
1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-p-tolylurea
CID 10905184
1-[4-(Furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methylphenyl)urea
CID 10938608
N-(2-Furylmethyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 220776
2-{[4-(furan-2-ylmethyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
CID 662283
2-{[4-(2-furylmethyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}-1-phenylethanone
CID 1242286
2-[4-[2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]-N-(2-hydroxyethyl)anilino]ethanol
CID 10026670
10-[3-(4-Aminophenyl)propyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 10904839
1-[11-Ethyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methylphenyl)urea
CID 10938276
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 10993916
1-[11-Butyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methylphenyl)urea
CID 11732736
1-[11-Ethyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 11826577

Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine (CID 654581) is 4-[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine is Cc1ccc(-n2c(-c3ccncc3)nnc2-c2ccco2)cc1.
What is the InChIKey of 4-[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is FWAVJMVSUSGZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-13-4-6-15(7-5-13)22-17(14-8-10-19-11-9-14)20-21-18(22)16-3-2-12-23-16/h2-12H,1H3.
What are the key properties of 4-[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine?
4-[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 302.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 654581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).