5-ethyl-1-methyl-3-(oxan-4-yl)-1,2,4-triazole

C10H17N3O — CID 170573332

IUPAC5-ethyl-1-methyl-3-(oxan-4-yl)-1,2,4-triazole
SMILESCCc1nc(C2CCOCC2)nn1C
InChIInChI=1S/C10H17N3O/c1-3-9-11-10(12-13(9)2)8-4-6-14-7-5-8/h8H,3-7H2,1-2H3
InChIKeyXHMJVCSACIPCEE-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.27
Rot. Bonds2

About 5-ethyl-1-methyl-3-(oxan-4-yl)-1,2,4-triazole

5-ethyl-1-methyl-3-(oxan-4-yl)-1,2,4-triazole (PubChem CID 170573332) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-ethyl-1-methyl-3-(oxan-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name5-ethyl-1-methyl-3-(oxan-4-yl)-1,2,4-triazole
PubChem CID170573332
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-ethyl-1-methyl-3-(oxan-4-yl)-1,2,4-triazole
SMILESCCc1nc(C2CCOCC2)nn1C
InChIInChI=1S/C10H17N3O/c1-3-9-11-10(12-13(9)2)8-4-6-14-7-5-8/h8H,3-7H2,1-2H3
InChIKeyXHMJVCSACIPCEE-UHFFFAOYSA-N
XLogP1.27
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-3-(oxan-4-yl)-1,2,4-triazole?
The IUPAC name of 5-ethyl-1-methyl-3-(oxan-4-yl)-1,2,4-triazole (CID 170573332) is 5-ethyl-1-methyl-3-(oxan-4-yl)-1,2,4-triazole.
What is the SMILES notation for 5-ethyl-1-methyl-3-(oxan-4-yl)-1,2,4-triazole?
The canonical SMILES for 5-ethyl-1-methyl-3-(oxan-4-yl)-1,2,4-triazole is CCc1nc(C2CCOCC2)nn1C.
What is the InChIKey of 5-ethyl-1-methyl-3-(oxan-4-yl)-1,2,4-triazole?
The InChIKey is XHMJVCSACIPCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-9-11-10(12-13(9)2)8-4-6-14-7-5-8/h8H,3-7H2,1-2H3.
What are the key properties of 5-ethyl-1-methyl-3-(oxan-4-yl)-1,2,4-triazole?
5-ethyl-1-methyl-3-(oxan-4-yl)-1,2,4-triazole has a molecular weight of 195.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-3-(oxan-4-yl)-1,2,4-triazole is sourced from PubChem (CID 170573332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).