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

C10H12N4O — CID 708326

IUPAC4-anilino-3-ethyl-1H-1,2,4-triazol-5-one
SMILESCCc1n[nH]c(=O)n1Nc1ccccc1
InChIInChI=1S/C10H12N4O/c1-2-9-11-12-10(15)14(9)13-8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H,12,15)
InChIKeyWHGZZMJNVIDLRI-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.01
Rot. Bonds3

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

4-anilino-3-ethyl-1H-1,2,4-triazol-5-one (PubChem CID 708326) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-anilino-3-ethyl-1H-1,2,4-triazol-5-one
PubChem CID708326
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name4-anilino-3-ethyl-1H-1,2,4-triazol-5-one
SMILESCCc1n[nH]c(=O)n1Nc1ccccc1
InChIInChI=1S/C10H12N4O/c1-2-9-11-12-10(15)14(9)13-8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H,12,15)
InChIKeyWHGZZMJNVIDLRI-UHFFFAOYSA-N
XLogP1.01
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one (CID 708326) is 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one is CCc1n[nH]c(=O)n1Nc1ccccc1.
What is the InChIKey of 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one?
The InChIKey is WHGZZMJNVIDLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-9-11-12-10(15)14(9)13-8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H,12,15).
What are the key properties of 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one?
4-anilino-3-ethyl-1H-1,2,4-triazol-5-one has a molecular weight of 204.23 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 708326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).