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

C8H15N3O — CID 62717171

IUPAC5-methyl-3-(2-propoxyethyl)-1H-1,2,4-triazole
SMILESCCCOCCc1n[nH]c(C)n1
InChIInChI=1S/C8H15N3O/c1-3-5-12-6-4-8-9-7(2)10-11-8/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyRBBOFXVRPQHFAK-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.08
Rot. Bonds5

About 5-methyl-3-(2-propoxyethyl)-1H-1,2,4-triazole

5-methyl-3-(2-propoxyethyl)-1H-1,2,4-triazole (PubChem CID 62717171) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 5-methyl-3-(2-propoxyethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-3-(2-propoxyethyl)-1H-1,2,4-triazole
PubChem CID62717171
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name5-methyl-3-(2-propoxyethyl)-1H-1,2,4-triazole
SMILESCCCOCCc1n[nH]c(C)n1
InChIInChI=1S/C8H15N3O/c1-3-5-12-6-4-8-9-7(2)10-11-8/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyRBBOFXVRPQHFAK-UHFFFAOYSA-N
XLogP1.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-propoxyethyl)-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-3-(2-propoxyethyl)-1H-1,2,4-triazole (CID 62717171) is 5-methyl-3-(2-propoxyethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-3-(2-propoxyethyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-3-(2-propoxyethyl)-1H-1,2,4-triazole is CCCOCCc1n[nH]c(C)n1.
What is the InChIKey of 5-methyl-3-(2-propoxyethyl)-1H-1,2,4-triazole?
The InChIKey is RBBOFXVRPQHFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-5-12-6-4-8-9-7(2)10-11-8/h3-6H2,1-2H3,(H,9,10,11).
What are the key properties of 5-methyl-3-(2-propoxyethyl)-1H-1,2,4-triazole?
5-methyl-3-(2-propoxyethyl)-1H-1,2,4-triazole has a molecular weight of 169.23 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-propoxyethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 62717171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).