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

C5H10N4O — CID 123906391

IUPAC3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine
SMILESCCOc1n[nH]c(NC)n1
InChIInChI=1S/C5H10N4O/c1-3-10-5-7-4(6-2)8-9-5/h3H2,1-2H3,(H2,6,7,8,9)
InChIKeyMQFXSXNXNUTMLF-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.25
Rot. Bonds3

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

3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine (PubChem CID 123906391) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine
PubChem CID123906391
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine
SMILESCCOc1n[nH]c(NC)n1
InChIInChI=1S/C5H10N4O/c1-3-10-5-7-4(6-2)8-9-5/h3H2,1-2H3,(H2,6,7,8,9)
InChIKeyMQFXSXNXNUTMLF-UHFFFAOYSA-N
XLogP0.25
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine (CID 123906391) is 3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine is CCOc1n[nH]c(NC)n1.
What is the InChIKey of 3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine?
The InChIKey is MQFXSXNXNUTMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-3-10-5-7-4(6-2)8-9-5/h3H2,1-2H3,(H2,6,7,8,9).
What are the key properties of 3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine?
3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine has a molecular weight of 142.16 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 123906391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).