4-anilino-2-ethyl-5-propyl-1,2,4-triazol-3-one

C13H18N4O — CID 10681885

IUPAC4-anilino-2-ethyl-5-propyl-1,2,4-triazol-3-one
SMILESCCCc1nn(CC)c(=O)n1Nc1ccccc1
InChIInChI=1S/C13H18N4O/c1-3-8-12-15-16(4-2)13(18)17(12)14-11-9-6-5-7-10-11/h5-7,9-10,14H,3-4,8H2,1-2H3
InChIKeyRKFFADIFWWCNMQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.89
Rot. Bonds5

About 4-anilino-2-ethyl-5-propyl-1,2,4-triazol-3-one

4-anilino-2-ethyl-5-propyl-1,2,4-triazol-3-one (PubChem CID 10681885) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-anilino-2-ethyl-5-propyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-anilino-2-ethyl-5-propyl-1,2,4-triazol-3-one
PubChem CID10681885
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-anilino-2-ethyl-5-propyl-1,2,4-triazol-3-one
SMILESCCCc1nn(CC)c(=O)n1Nc1ccccc1
InChIInChI=1S/C13H18N4O/c1-3-8-12-15-16(4-2)13(18)17(12)14-11-9-6-5-7-10-11/h5-7,9-10,14H,3-4,8H2,1-2H3
InChIKeyRKFFADIFWWCNMQ-UHFFFAOYSA-N
XLogP1.89
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-ethyl-5-propyl-1,2,4-triazol-3-one?
The IUPAC name of 4-anilino-2-ethyl-5-propyl-1,2,4-triazol-3-one (CID 10681885) is 4-anilino-2-ethyl-5-propyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-anilino-2-ethyl-5-propyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-anilino-2-ethyl-5-propyl-1,2,4-triazol-3-one is CCCc1nn(CC)c(=O)n1Nc1ccccc1.
What is the InChIKey of 4-anilino-2-ethyl-5-propyl-1,2,4-triazol-3-one?
The InChIKey is RKFFADIFWWCNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-8-12-15-16(4-2)13(18)17(12)14-11-9-6-5-7-10-11/h5-7,9-10,14H,3-4,8H2,1-2H3.
What are the key properties of 4-anilino-2-ethyl-5-propyl-1,2,4-triazol-3-one?
4-anilino-2-ethyl-5-propyl-1,2,4-triazol-3-one has a molecular weight of 246.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-ethyl-5-propyl-1,2,4-triazol-3-one is sourced from PubChem (CID 10681885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).