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

C5H10N4O — CID 12957670

IUPAC5-ethoxy-2-methyl-1,2,4-triazol-3-amine
SMILESCCOc1nc(N)n(C)n1
InChIInChI=1S/C5H10N4O/c1-3-10-5-7-4(6)9(2)8-5/h3H2,1-2H3,(H2,6,7,8)
InChIKeyZHRDKWOUVJVMJD-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.20
Rot. Bonds2

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

5-ethoxy-2-methyl-1,2,4-triazol-3-amine (PubChem CID 12957670) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 5-ethoxy-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-ethoxy-2-methyl-1,2,4-triazol-3-amine
PubChem CID12957670
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name5-ethoxy-2-methyl-1,2,4-triazol-3-amine
SMILESCCOc1nc(N)n(C)n1
InChIInChI=1S/C5H10N4O/c1-3-10-5-7-4(6)9(2)8-5/h3H2,1-2H3,(H2,6,7,8)
InChIKeyZHRDKWOUVJVMJD-UHFFFAOYSA-N
XLogP-0.20
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-ethoxy-2-methyl-1,2,4-triazol-3-amine (CID 12957670) is 5-ethoxy-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-ethoxy-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-ethoxy-2-methyl-1,2,4-triazol-3-amine is CCOc1nc(N)n(C)n1.
What is the InChIKey of 5-ethoxy-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is ZHRDKWOUVJVMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-3-10-5-7-4(6)9(2)8-5/h3H2,1-2H3,(H2,6,7,8).
What are the key properties of 5-ethoxy-2-methyl-1,2,4-triazol-3-amine?
5-ethoxy-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 142.16 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 12957670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).