3-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine

C11H7F3N4 — CID 172570704

IUPAC3-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nnc2c3ccc(C(F)(F)F)cc3cnn12
InChIInChI=1S/C11H7F3N4/c1-6-16-17-10-9-3-2-8(11(12,13)14)4-7(9)5-15-18(6)10/h2-5H,1H3
InChIKeyORELPPGSXHISKU-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.60
Rot. Bonds

About 3-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine

3-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 172570704) has the molecular formula C11H7F3N4 and a molecular weight of 252.20 g/mol. Its IUPAC name is 3-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name3-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID172570704
Molecular FormulaC11H7F3N4
Molecular Weight252.20 g/mol
Exact Mass252.06
IUPAC Name3-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nnc2c3ccc(C(F)(F)F)cc3cnn12
InChIInChI=1S/C11H7F3N4/c1-6-16-17-10-9-3-2-8(11(12,13)14)4-7(9)5-15-18(6)10/h2-5H,1H3
InChIKeyORELPPGSXHISKU-UHFFFAOYSA-N
XLogP2.60
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 3-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine (CID 172570704) is 3-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 3-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 3-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine is Cc1nnc2c3ccc(C(F)(F)F)cc3cnn12.
What is the InChIKey of 3-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is ORELPPGSXHISKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4/c1-6-16-17-10-9-3-2-8(11(12,13)14)4-7(9)5-15-18(6)10/h2-5H,1H3.
What are the key properties of 3-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine?
3-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 252.20 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 172570704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).