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

C6H12N4O — CID 112596254

IUPAC5-ethoxy-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCCOc1nnc(NC)n1C
InChIInChI=1S/C6H12N4O/c1-4-11-6-9-8-5(7-2)10(6)3/h4H2,1-3H3,(H,7,8)
InChIKeyHIZJGIVDIOARKL-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.26
Rot. Bonds3

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

5-ethoxy-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 112596254) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 5-ethoxy-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-ethoxy-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID112596254
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name5-ethoxy-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCCOc1nnc(NC)n1C
InChIInChI=1S/C6H12N4O/c1-4-11-6-9-8-5(7-2)10(6)3/h4H2,1-3H3,(H,7,8)
InChIKeyHIZJGIVDIOARKL-UHFFFAOYSA-N
XLogP0.26
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Ethoxy-2-methyl-1,2,4-triazol-3-amine
CID 12957670
3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine
CID 123906391
5-Ethoxy-4-methyl-1,2,4-triazol-3-amine
CID 166115218
ethane;3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine
CID 169237869
1-(ethoxymethyl)-1H-1,2,4-triazol-3-amine
CID 65369127
5-Bromo-1-(ethoxymethyl)-1H-1,2,4-triazol-3-amine
CID 103098738
5-methoxy-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596602
5-ethoxy-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596633
N,4-diethyl-5-methoxy-1,2,4-triazol-3-amine
CID 112596951
1-(propoxymethyl)-1H-1,2,4-triazol-3-amine
CID 165465664
5-bromo-1-(propoxymethyl)-1H-1,2,4-triazol-3-amine
CID 165963667

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-ethoxy-N,4-dimethyl-1,2,4-triazol-3-amine (CID 112596254) is 5-ethoxy-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-ethoxy-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-ethoxy-N,4-dimethyl-1,2,4-triazol-3-amine is CCOc1nnc(NC)n1C.
What is the InChIKey of 5-ethoxy-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is HIZJGIVDIOARKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-4-11-6-9-8-5(7-2)10(6)3/h4H2,1-3H3,(H,7,8).
What are the key properties of 5-ethoxy-N,4-dimethyl-1,2,4-triazol-3-amine?
5-ethoxy-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 156.19 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).