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

C5H10N4O — CID 82841701

IUPAC5-amino-4-ethyl-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(N)nn(C)c1=O
InChIInChI=1S/C5H10N4O/c1-3-9-4(6)7-8(2)5(9)10/h3H2,1-2H3,(H2,6,7)
InChIKeyDZGFYOZODVECEL-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.82
Rot. Bonds1

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

5-amino-4-ethyl-2-methyl-1,2,4-triazol-3-one (PubChem CID 82841701) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 5-amino-4-ethyl-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-amino-4-ethyl-2-methyl-1,2,4-triazol-3-one
PubChem CID82841701
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name5-amino-4-ethyl-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(N)nn(C)c1=O
InChIInChI=1S/C5H10N4O/c1-3-9-4(6)7-8(2)5(9)10/h3H2,1-2H3,(H2,6,7)
InChIKeyDZGFYOZODVECEL-UHFFFAOYSA-N
XLogP-0.82
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-ethyl-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 5-amino-4-ethyl-2-methyl-1,2,4-triazol-3-one (CID 82841701) is 5-amino-4-ethyl-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-amino-4-ethyl-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-amino-4-ethyl-2-methyl-1,2,4-triazol-3-one is CCn1c(N)nn(C)c1=O.
What is the InChIKey of 5-amino-4-ethyl-2-methyl-1,2,4-triazol-3-one?
The InChIKey is DZGFYOZODVECEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-3-9-4(6)7-8(2)5(9)10/h3H2,1-2H3,(H2,6,7).
What are the key properties of 5-amino-4-ethyl-2-methyl-1,2,4-triazol-3-one?
5-amino-4-ethyl-2-methyl-1,2,4-triazol-3-one has a molecular weight of 142.16 g/mol, XLogP of -0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-ethyl-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 82841701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).