3-ethoxy-1H-1,2,4-triazol-5-amine

C4H8N4O — CID 13045208

IUPAC3-ethoxy-1H-1,2,4-triazol-5-amine
SMILESCCOc1n[nH]c(N)n1
InChIInChI=1S/C4H8N4O/c1-2-9-4-6-3(5)7-8-4/h2H2,1H3,(H3,5,6,7,8)
InChIKeyCGNJBRBYZRWHKV-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.21
Rot. Bonds2

About 3-ethoxy-1H-1,2,4-triazol-5-amine

3-ethoxy-1H-1,2,4-triazol-5-amine (PubChem CID 13045208) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 3-ethoxy-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-ethoxy-1H-1,2,4-triazol-5-amine
PubChem CID13045208
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name3-ethoxy-1H-1,2,4-triazol-5-amine
SMILESCCOc1n[nH]c(N)n1
InChIInChI=1S/C4H8N4O/c1-2-9-4-6-3(5)7-8-4/h2H2,1H3,(H3,5,6,7,8)
InChIKeyCGNJBRBYZRWHKV-UHFFFAOYSA-N
XLogP-0.21
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methoxy-1H-1,2,4-triazol-3-amine
CID 307982
3-Bromo-5-ethoxy-1h-1,2,4-triazole
CID 119083138
3-Bromo-5-isopropoxy-1h-1,2,4-triazole
CID 129743120
Potassium 3-propoxy-1H-1,2,4-triazol-5-olate
CID 138394312
3-propoxy-1H-1,2,4-triazol-5-amine
CID 20307918
3-butoxy-1H-1,2,4-triazol-5-amine
CID 20307921
(5-amino-1H-1,2,4-triazol-3-yl) ethyl carbonate
CID 67146323
3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine
CID 123906391
ethane;1H-1,2,4-triazole-3,5-diamine
CID 144046689
5-iodo-3-(2-methylpropoxy)-1H-1,2,4-triazole
CID 155409195
3-ethoxy-5-iodo-1H-1,2,4-triazole
CID 155409207
ethane;3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine
CID 169237869

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-ethoxy-1H-1,2,4-triazol-5-amine (CID 13045208) is 3-ethoxy-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-ethoxy-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-ethoxy-1H-1,2,4-triazol-5-amine is CCOc1n[nH]c(N)n1.
What is the InChIKey of 3-ethoxy-1H-1,2,4-triazol-5-amine?
The InChIKey is CGNJBRBYZRWHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c1-2-9-4-6-3(5)7-8-4/h2H2,1H3,(H3,5,6,7,8).
What are the key properties of 3-ethoxy-1H-1,2,4-triazol-5-amine?
3-ethoxy-1H-1,2,4-triazol-5-amine has a molecular weight of 128.13 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 13045208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).