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

C10H19N3O — CID 146646346

IUPAC4-ethyl-2-methyl-3-(oxan-4-yl)-1H-triazole
SMILESCCC1=CNN(C)N1C1CCOCC1
InChIInChI=1S/C10H19N3O/c1-3-9-8-11-12(2)13(9)10-4-6-14-7-5-10/h8,10-11H,3-7H2,1-2H3
InChIKeyRVPRMVWRADBIFI-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.08
Rot. Bonds2

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

4-ethyl-2-methyl-3-(oxan-4-yl)-1H-triazole (PubChem CID 146646346) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-ethyl-2-methyl-3-(oxan-4-yl)-1H-triazole.

Molecular Properties

Compound Name4-ethyl-2-methyl-3-(oxan-4-yl)-1H-triazole
PubChem CID146646346
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-ethyl-2-methyl-3-(oxan-4-yl)-1H-triazole
SMILESCCC1=CNN(C)N1C1CCOCC1
InChIInChI=1S/C10H19N3O/c1-3-9-8-11-12(2)13(9)10-4-6-14-7-5-10/h8,10-11H,3-7H2,1-2H3
InChIKeyRVPRMVWRADBIFI-UHFFFAOYSA-N
XLogP1.08
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-3-(oxan-4-yl)-1H-triazole?
The IUPAC name of 4-ethyl-2-methyl-3-(oxan-4-yl)-1H-triazole (CID 146646346) is 4-ethyl-2-methyl-3-(oxan-4-yl)-1H-triazole.
What is the SMILES notation for 4-ethyl-2-methyl-3-(oxan-4-yl)-1H-triazole?
The canonical SMILES for 4-ethyl-2-methyl-3-(oxan-4-yl)-1H-triazole is CCC1=CNN(C)N1C1CCOCC1.
What is the InChIKey of 4-ethyl-2-methyl-3-(oxan-4-yl)-1H-triazole?
The InChIKey is RVPRMVWRADBIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-9-8-11-12(2)13(9)10-4-6-14-7-5-10/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-3-(oxan-4-yl)-1H-triazole?
4-ethyl-2-methyl-3-(oxan-4-yl)-1H-triazole has a molecular weight of 197.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-3-(oxan-4-yl)-1H-triazole is sourced from PubChem (CID 146646346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).