5-ethoxy-N,4-diethyl-1,2,4-triazol-3-amine

C8H16N4O — CID 112596633

IUPAC5-ethoxy-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(OCC)n1CC
InChIInChI=1S/C8H16N4O/c1-4-9-7-10-11-8(13-6-3)12(7)5-2/h4-6H2,1-3H3,(H,9,10)
InChIKeyDWBVQSJKNUMQFL-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.13
Rot. Bonds5

About 5-ethoxy-N,4-diethyl-1,2,4-triazol-3-amine

5-ethoxy-N,4-diethyl-1,2,4-triazol-3-amine (PubChem CID 112596633) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-ethoxy-N,4-diethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-ethoxy-N,4-diethyl-1,2,4-triazol-3-amine
PubChem CID112596633
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name5-ethoxy-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(OCC)n1CC
InChIInChI=1S/C8H16N4O/c1-4-9-7-10-11-8(13-6-3)12(7)5-2/h4-6H2,1-3H3,(H,9,10)
InChIKeyDWBVQSJKNUMQFL-UHFFFAOYSA-N
XLogP1.13
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N,4-diethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-ethoxy-N,4-diethyl-1,2,4-triazol-3-amine (CID 112596633) is 5-ethoxy-N,4-diethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-ethoxy-N,4-diethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-ethoxy-N,4-diethyl-1,2,4-triazol-3-amine is CCNc1nnc(OCC)n1CC.
What is the InChIKey of 5-ethoxy-N,4-diethyl-1,2,4-triazol-3-amine?
The InChIKey is DWBVQSJKNUMQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-4-9-7-10-11-8(13-6-3)12(7)5-2/h4-6H2,1-3H3,(H,9,10).
What are the key properties of 5-ethoxy-N,4-diethyl-1,2,4-triazol-3-amine?
5-ethoxy-N,4-diethyl-1,2,4-triazol-3-amine has a molecular weight of 184.24 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N,4-diethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).