4-(furan-2-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-triazole

C11H14N4O — CID 82472110

IUPAC4-(furan-2-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-triazole
SMILESc1coc(Cn2cnnc2C2CCCN2)c1
InChIInChI=1S/C11H14N4O/c1-4-10(12-5-1)11-14-13-8-15(11)7-9-3-2-6-16-9/h2-3,6,8,10,12H,1,4-5,7H2
InChIKeyPUJPSXFNVSYVPL-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.34
Rot. Bonds3

About 4-(furan-2-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-triazole

4-(furan-2-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-triazole (PubChem CID 82472110) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-triazole
PubChem CID82472110
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-(furan-2-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-triazole
SMILESc1coc(Cn2cnnc2C2CCCN2)c1
InChIInChI=1S/C11H14N4O/c1-4-10(12-5-1)11-14-13-8-15(11)7-9-3-2-6-16-9/h2-3,6,8,10,12H,1,4-5,7H2
InChIKeyPUJPSXFNVSYVPL-UHFFFAOYSA-N
XLogP1.34
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(furan-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942485
4-(2-methoxyethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-triazole
CID 94554648
(2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine
CID 94552646
1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942681
2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 62406028
4-(2-methylphenyl)-3-pyrrolidin-2-yl-1,2,4-triazole
CID 82473887
(2R)-2-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine
CID 104915223
2-(4-methyl-1,2,4-triazol-3-yl)azepane
CID 64562303
4-(furan-2-ylmethyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 102571327
4-(4-chlorophenyl)-3-pyrrolidin-2-yl-1,2,4-triazole
CID 82480433
1-(furan-2-ylmethyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine
CID 87052252
3-[1-(4-fluorophenyl)ethylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazole
CID 47016770

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-triazole?
The IUPAC name of 4-(furan-2-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-triazole (CID 82472110) is 4-(furan-2-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-triazole.
What is the SMILES notation for 4-(furan-2-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-triazole?
The canonical SMILES for 4-(furan-2-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-triazole is c1coc(Cn2cnnc2C2CCCN2)c1.
What is the InChIKey of 4-(furan-2-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-triazole?
The InChIKey is PUJPSXFNVSYVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-4-10(12-5-1)11-14-13-8-15(11)7-9-3-2-6-16-9/h2-3,6,8,10,12H,1,4-5,7H2.
What are the key properties of 4-(furan-2-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-triazole?
4-(furan-2-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-triazole has a molecular weight of 218.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-triazole is sourced from PubChem (CID 82472110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).