5-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-ethylpyridazin-3-one

C15H11ClF3N5O — CID 123671958

IUPAC5-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-ethylpyridazin-3-one
SMILESCCn1ncc(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)nn2)cc1=O
InChIInChI=1S/C15H11ClF3N5O/c1-2-23-14(25)5-9(7-20-23)11-6-10(16)3-4-12(11)24-8-13(21-22-24)15(17,18)19/h3-8H,2H2,1H3
InChIKeyQMJMGBLZTMGSFV-UHFFFAOYSA-N
MW369.73 g/mol
LogP3.18
Rot. Bonds3

About 5-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-ethylpyridazin-3-one

5-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-ethylpyridazin-3-one (PubChem CID 123671958) has the molecular formula C15H11ClF3N5O and a molecular weight of 369.73 g/mol. Its IUPAC name is 5-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name5-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-ethylpyridazin-3-one
PubChem CID123671958
Molecular FormulaC15H11ClF3N5O
Molecular Weight369.73 g/mol
Exact Mass369.06
IUPAC Name5-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-ethylpyridazin-3-one
SMILESCCn1ncc(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)nn2)cc1=O
InChIInChI=1S/C15H11ClF3N5O/c1-2-23-14(25)5-9(7-20-23)11-6-10(16)3-4-12(11)24-8-13(21-22-24)15(17,18)19/h3-8H,2H2,1H3
InChIKeyQMJMGBLZTMGSFV-UHFFFAOYSA-N
XLogP3.18
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.73
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-ethylpyridazin-3-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 5-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-ethylpyridazin-3-one?
The IUPAC name of 5-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-ethylpyridazin-3-one (CID 123671958) is 5-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-ethylpyridazin-3-one.
What is the SMILES notation for 5-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-ethylpyridazin-3-one?
The canonical SMILES for 5-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-ethylpyridazin-3-one is CCn1ncc(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)nn2)cc1=O.
What is the InChIKey of 5-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-ethylpyridazin-3-one?
The InChIKey is QMJMGBLZTMGSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N5O/c1-2-23-14(25)5-9(7-20-23)11-6-10(16)3-4-12(11)24-8-13(21-22-24)15(17,18)19/h3-8H,2H2,1H3.
What are the key properties of 5-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-ethylpyridazin-3-one?
5-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-ethylpyridazin-3-one has a molecular weight of 369.73 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-ethylpyridazin-3-one is sourced from PubChem (CID 123671958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).