3-methyl-1-(1-propoxyethyl)-1,2,4-triazole

C8H15N3O — CID 20744901

IUPAC3-methyl-1-(1-propoxyethyl)-1,2,4-triazole
SMILESCCCOC(C)n1cnc(C)n1
InChIInChI=1S/C8H15N3O/c1-4-5-12-8(3)11-6-9-7(2)10-11/h6,8H,4-5H2,1-3H3
InChIKeyUABCTXAJPNOFJG-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.53
Rot. Bonds4

About 3-methyl-1-(1-propoxyethyl)-1,2,4-triazole

3-methyl-1-(1-propoxyethyl)-1,2,4-triazole (PubChem CID 20744901) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-methyl-1-(1-propoxyethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-1-(1-propoxyethyl)-1,2,4-triazole
PubChem CID20744901
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-methyl-1-(1-propoxyethyl)-1,2,4-triazole
SMILESCCCOC(C)n1cnc(C)n1
InChIInChI=1S/C8H15N3O/c1-4-5-12-8(3)11-6-9-7(2)10-11/h6,8H,4-5H2,1-3H3
InChIKeyUABCTXAJPNOFJG-UHFFFAOYSA-N
XLogP1.53
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-propoxyethyl)-1,2,4-triazole?
The IUPAC name of 3-methyl-1-(1-propoxyethyl)-1,2,4-triazole (CID 20744901) is 3-methyl-1-(1-propoxyethyl)-1,2,4-triazole.
What is the SMILES notation for 3-methyl-1-(1-propoxyethyl)-1,2,4-triazole?
The canonical SMILES for 3-methyl-1-(1-propoxyethyl)-1,2,4-triazole is CCCOC(C)n1cnc(C)n1.
What is the InChIKey of 3-methyl-1-(1-propoxyethyl)-1,2,4-triazole?
The InChIKey is UABCTXAJPNOFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-5-12-8(3)11-6-9-7(2)10-11/h6,8H,4-5H2,1-3H3.
What are the key properties of 3-methyl-1-(1-propoxyethyl)-1,2,4-triazole?
3-methyl-1-(1-propoxyethyl)-1,2,4-triazole has a molecular weight of 169.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-propoxyethyl)-1,2,4-triazole is sourced from PubChem (CID 20744901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).