3-(furan-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-1,2,4-triazole

C14H17N5O — CID 131944974

IUPAC3-(furan-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-1,2,4-triazole
SMILESCc1nn(C)c(C)c1CCc1nc(-c2ccco2)n[nH]1
InChIInChI=1S/C14H17N5O/c1-9-11(10(2)19(3)18-9)6-7-13-15-14(17-16-13)12-5-4-8-20-12/h4-5,8H,6-7H2,1-3H3,(H,15,16,17)
InChIKeyWJBOASNGVFWGFA-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.20
Rot. Bonds4

About 3-(furan-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-1,2,4-triazole

3-(furan-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-1,2,4-triazole (PubChem CID 131944974) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-1,2,4-triazole
PubChem CID131944974
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name3-(furan-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-1,2,4-triazole
SMILESCc1nn(C)c(C)c1CCc1nc(-c2ccco2)n[nH]1
InChIInChI=1S/C14H17N5O/c1-9-11(10(2)19(3)18-9)6-7-13-15-14(17-16-13)12-5-4-8-20-12/h4-5,8H,6-7H2,1-3H3,(H,15,16,17)
InChIKeyWJBOASNGVFWGFA-UHFFFAOYSA-N
XLogP2.20
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-1,2,4-triazole?
The IUPAC name of 3-(furan-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-1,2,4-triazole (CID 131944974) is 3-(furan-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-1,2,4-triazole.
What is the SMILES notation for 3-(furan-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-1,2,4-triazole?
The canonical SMILES for 3-(furan-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-1,2,4-triazole is Cc1nn(C)c(C)c1CCc1nc(-c2ccco2)n[nH]1.
What is the InChIKey of 3-(furan-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-1,2,4-triazole?
The InChIKey is WJBOASNGVFWGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9-11(10(2)19(3)18-9)6-7-13-15-14(17-16-13)12-5-4-8-20-12/h4-5,8H,6-7H2,1-3H3,(H,15,16,17).
What are the key properties of 3-(furan-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-1,2,4-triazole?
3-(furan-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-1,2,4-triazole has a molecular weight of 271.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-1,2,4-triazole is sourced from PubChem (CID 131944974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).