5-(oxan-4-yl)-3-[5-(pyrazol-1-ylmethyl)furan-2-yl]-1H-1,2,4-triazole

C15H17N5O2 — CID 74248193

IUPAC5-(oxan-4-yl)-3-[5-(pyrazol-1-ylmethyl)furan-2-yl]-1H-1,2,4-triazole
SMILESc1cnn(Cc2ccc(-c3n[nH]c(C4CCOCC4)n3)o2)c1
InChIInChI=1S/C15H17N5O2/c1-6-16-20(7-1)10-12-2-3-13(22-12)15-17-14(18-19-15)11-4-8-21-9-5-11/h1-3,6-7,11H,4-5,8-10H2,(H,17,18,19)
InChIKeyXJRHBSMKSLLXHR-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.20
Rot. Bonds4

About 5-(oxan-4-yl)-3-[5-(pyrazol-1-ylmethyl)furan-2-yl]-1H-1,2,4-triazole

5-(oxan-4-yl)-3-[5-(pyrazol-1-ylmethyl)furan-2-yl]-1H-1,2,4-triazole (PubChem CID 74248193) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-(oxan-4-yl)-3-[5-(pyrazol-1-ylmethyl)furan-2-yl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(oxan-4-yl)-3-[5-(pyrazol-1-ylmethyl)furan-2-yl]-1H-1,2,4-triazole
PubChem CID74248193
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name5-(oxan-4-yl)-3-[5-(pyrazol-1-ylmethyl)furan-2-yl]-1H-1,2,4-triazole
SMILESc1cnn(Cc2ccc(-c3n[nH]c(C4CCOCC4)n3)o2)c1
InChIInChI=1S/C15H17N5O2/c1-6-16-20(7-1)10-12-2-3-13(22-12)15-17-14(18-19-15)11-4-8-21-9-5-11/h1-3,6-7,11H,4-5,8-10H2,(H,17,18,19)
InChIKeyXJRHBSMKSLLXHR-UHFFFAOYSA-N
XLogP2.20
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)-3-[5-(pyrazol-1-ylmethyl)furan-2-yl]-1H-1,2,4-triazole?
The IUPAC name of 5-(oxan-4-yl)-3-[5-(pyrazol-1-ylmethyl)furan-2-yl]-1H-1,2,4-triazole (CID 74248193) is 5-(oxan-4-yl)-3-[5-(pyrazol-1-ylmethyl)furan-2-yl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-(oxan-4-yl)-3-[5-(pyrazol-1-ylmethyl)furan-2-yl]-1H-1,2,4-triazole?
The canonical SMILES for 5-(oxan-4-yl)-3-[5-(pyrazol-1-ylmethyl)furan-2-yl]-1H-1,2,4-triazole is c1cnn(Cc2ccc(-c3n[nH]c(C4CCOCC4)n3)o2)c1.
What is the InChIKey of 5-(oxan-4-yl)-3-[5-(pyrazol-1-ylmethyl)furan-2-yl]-1H-1,2,4-triazole?
The InChIKey is XJRHBSMKSLLXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-6-16-20(7-1)10-12-2-3-13(22-12)15-17-14(18-19-15)11-4-8-21-9-5-11/h1-3,6-7,11H,4-5,8-10H2,(H,17,18,19).
What are the key properties of 5-(oxan-4-yl)-3-[5-(pyrazol-1-ylmethyl)furan-2-yl]-1H-1,2,4-triazole?
5-(oxan-4-yl)-3-[5-(pyrazol-1-ylmethyl)furan-2-yl]-1H-1,2,4-triazole has a molecular weight of 299.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)-3-[5-(pyrazol-1-ylmethyl)furan-2-yl]-1H-1,2,4-triazole is sourced from PubChem (CID 74248193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).