3-methyl-4-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,2,5-oxadiazole

C15H16N6O2 — CID 45191834

IUPAC3-methyl-4-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,2,5-oxadiazole
SMILESCc1ccc(-c2cnnc(N3CCCC3c3nonc3C)n2)o1
InChIInChI=1S/C15H16N6O2/c1-9-5-6-13(22-9)11-8-16-18-15(17-11)21-7-3-4-12(21)14-10(2)19-23-20-14/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyIFYNHEKDWYECDT-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.47
Rot. Bonds3

About 3-methyl-4-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,2,5-oxadiazole

3-methyl-4-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,2,5-oxadiazole (PubChem CID 45191834) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-methyl-4-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,2,5-oxadiazole
PubChem CID45191834
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name3-methyl-4-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,2,5-oxadiazole
SMILESCc1ccc(-c2cnnc(N3CCCC3c3nonc3C)n2)o1
InChIInChI=1S/C15H16N6O2/c1-9-5-6-13(22-9)11-8-16-18-15(17-11)21-7-3-4-12(21)14-10(2)19-23-20-14/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyIFYNHEKDWYECDT-UHFFFAOYSA-N
XLogP2.47
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,2,5-oxadiazole (CID 45191834) is 3-methyl-4-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,2,5-oxadiazole is Cc1ccc(-c2cnnc(N3CCCC3c3nonc3C)n2)o1.
What is the InChIKey of 3-methyl-4-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,2,5-oxadiazole?
The InChIKey is IFYNHEKDWYECDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-9-5-6-13(22-9)11-8-16-18-15(17-11)21-7-3-4-12(21)14-10(2)19-23-20-14/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of 3-methyl-4-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,2,5-oxadiazole?
3-methyl-4-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,2,5-oxadiazole has a molecular weight of 312.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,2,5-oxadiazole is sourced from PubChem (CID 45191834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).