6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine

C10H4ClF3N4 — CID 1136914

IUPAC6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESFC(F)(F)c1nnc2c3ccccc3c(Cl)nn12
InChIInChI=1S/C10H4ClF3N4/c11-7-5-3-1-2-4-6(5)8-15-16-9(10(12,13)14)18(8)17-7/h1-4H
InChIKeyZYOXLJFCXRKLEY-UHFFFAOYSA-N
MW272.62 g/mol
LogP2.95
Rot. Bonds

About 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine

6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 1136914) has the molecular formula C10H4ClF3N4 and a molecular weight of 272.62 g/mol. Its IUPAC name is 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID1136914
Molecular FormulaC10H4ClF3N4
Molecular Weight272.62 g/mol
Exact Mass272.01
IUPAC Name6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESFC(F)(F)c1nnc2c3ccccc3c(Cl)nn12
InChIInChI=1S/C10H4ClF3N4/c11-7-5-3-1-2-4-6(5)8-15-16-9(10(12,13)14)18(8)17-7/h1-4H
InChIKeyZYOXLJFCXRKLEY-UHFFFAOYSA-N
XLogP2.95
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.62
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-dimethyl-3-phenyl-
CID 3071194
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-diethyl-3-phenyl-
CID 3071195
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N-ethyl-N-methyl-3-phenyl-
CID 3071198
6-Chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 748270
6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine
CID 313633
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, 3-phenyl-
CID 3071188
6-Chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 911462
6-Chloro-3-(2,6-dichloro-phenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 706624
6-Methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 936322
3-Methyl-6-(m-chlorophenyl)-1,2,4-triazolo[4,3-b]pyridazine
CID 12726827
3-Methyl-6-phenyl[1,2,4]triazolo[3,4-a]phthalazine
CID 272110
6-Methyl-3-o-tolyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 938072

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine (CID 1136914) is 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine is FC(F)(F)c1nnc2c3ccccc3c(Cl)nn12.
What is the InChIKey of 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is ZYOXLJFCXRKLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF3N4/c11-7-5-3-1-2-4-6(5)8-15-16-9(10(12,13)14)18(8)17-7/h1-4H.
What are the key properties of 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine?
6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 272.62 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 1136914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).