3-amino-4-ethyl-1H-1,2,4-triazol-5-one

C4H8N4O — CID 153114196

IUPAC3-amino-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCn1c(N)n[nH]c1=O
InChIInChI=1S/C4H8N4O/c1-2-8-3(5)6-7-4(8)9/h2H2,1H3,(H2,5,6)(H,7,9)
InChIKeyVTNOBWOXQCHLMV-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.83
Rot. Bonds1

About 3-amino-4-ethyl-1H-1,2,4-triazol-5-one

3-amino-4-ethyl-1H-1,2,4-triazol-5-one (PubChem CID 153114196) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 3-amino-4-ethyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-amino-4-ethyl-1H-1,2,4-triazol-5-one
PubChem CID153114196
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name3-amino-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCn1c(N)n[nH]c1=O
InChIInChI=1S/C4H8N4O/c1-2-8-3(5)6-7-4(8)9/h2H2,1H3,(H2,5,6)(H,7,9)
InChIKeyVTNOBWOXQCHLMV-UHFFFAOYSA-N
XLogP-0.83
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-amino-4-ethyl-1H-1,2,4-triazol-5-one (CID 153114196) is 3-amino-4-ethyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-amino-4-ethyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-amino-4-ethyl-1H-1,2,4-triazol-5-one is CCn1c(N)n[nH]c1=O.
What is the InChIKey of 3-amino-4-ethyl-1H-1,2,4-triazol-5-one?
The InChIKey is VTNOBWOXQCHLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c1-2-8-3(5)6-7-4(8)9/h2H2,1H3,(H2,5,6)(H,7,9).
What are the key properties of 3-amino-4-ethyl-1H-1,2,4-triazol-5-one?
3-amino-4-ethyl-1H-1,2,4-triazol-5-one has a molecular weight of 128.13 g/mol, XLogP of -0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 153114196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).