3-(1,5-dimethylpyrazol-4-yl)-4-ethyl-1H-1,2,4-triazol-5-one

C9H13N5O — CID 50966541

IUPAC3-(1,5-dimethylpyrazol-4-yl)-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCn1c(-c2cnn(C)c2C)n[nH]c1=O
InChIInChI=1S/C9H13N5O/c1-4-14-8(11-12-9(14)15)7-5-10-13(3)6(7)2/h5H,4H2,1-3H3,(H,12,15)
InChIKeyINCDLEFKFAWWOZ-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.30
Rot. Bonds2

About 3-(1,5-dimethylpyrazol-4-yl)-4-ethyl-1H-1,2,4-triazol-5-one

3-(1,5-dimethylpyrazol-4-yl)-4-ethyl-1H-1,2,4-triazol-5-one (PubChem CID 50966541) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-4-ethyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-4-ethyl-1H-1,2,4-triazol-5-one
PubChem CID50966541
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCn1c(-c2cnn(C)c2C)n[nH]c1=O
InChIInChI=1S/C9H13N5O/c1-4-14-8(11-12-9(14)15)7-5-10-13(3)6(7)2/h5H,4H2,1-3H3,(H,12,15)
InChIKeyINCDLEFKFAWWOZ-UHFFFAOYSA-N
XLogP0.30
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1,5-dimethylpyrazol-4-yl)-4-ethyl-1H-1,2,4-triazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-4-ethyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-4-ethyl-1H-1,2,4-triazol-5-one (CID 50966541) is 3-(1,5-dimethylpyrazol-4-yl)-4-ethyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-4-ethyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-4-ethyl-1H-1,2,4-triazol-5-one is CCn1c(-c2cnn(C)c2C)n[nH]c1=O.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-4-ethyl-1H-1,2,4-triazol-5-one?
The InChIKey is INCDLEFKFAWWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-4-14-8(11-12-9(14)15)7-5-10-13(3)6(7)2/h5H,4H2,1-3H3,(H,12,15).
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-4-ethyl-1H-1,2,4-triazol-5-one?
3-(1,5-dimethylpyrazol-4-yl)-4-ethyl-1H-1,2,4-triazol-5-one has a molecular weight of 207.24 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-4-ethyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 50966541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).