4-ethyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one

C7H14N4O — CID 82840820

IUPAC4-ethyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one
SMILESCCNc1nn(C)c(=O)n1CC
InChIInChI=1S/C7H14N4O/c1-4-8-6-9-10(3)7(12)11(6)5-2/h4-5H2,1-3H3,(H,8,9)
InChIKeySDFCNZDTQFLJDM-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.03
Rot. Bonds3

About 4-ethyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one

4-ethyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one (PubChem CID 82840820) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 4-ethyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one
PubChem CID82840820
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name4-ethyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one
SMILESCCNc1nn(C)c(=O)n1CC
InChIInChI=1S/C7H14N4O/c1-4-8-6-9-10(3)7(12)11(6)5-2/h4-5H2,1-3H3,(H,8,9)
InChIKeySDFCNZDTQFLJDM-UHFFFAOYSA-N
XLogP0.03
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one (CID 82840820) is 4-ethyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one is CCNc1nn(C)c(=O)n1CC.
What is the InChIKey of 4-ethyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one?
The InChIKey is SDFCNZDTQFLJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-4-8-6-9-10(3)7(12)11(6)5-2/h4-5H2,1-3H3,(H,8,9).
What are the key properties of 4-ethyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one?
4-ethyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one has a molecular weight of 170.22 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 82840820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).