3,6-dimethyl-[1,2,4]triazolo[3,4-a]phthalazine

C11H10N4 — CID 13185783

IUPAC3,6-dimethyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nn2c(C)nnc2c2ccccc12
InChIInChI=1S/C11H10N4/c1-7-9-5-3-4-6-10(9)11-13-12-8(2)15(11)14-7/h3-6H,1-2H3
InChIKeyYLIQBTQJJIWRSF-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.89
Rot. Bonds

About 3,6-dimethyl-[1,2,4]triazolo[3,4-a]phthalazine

3,6-dimethyl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 13185783) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3,6-dimethyl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name3,6-dimethyl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID13185783
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name3,6-dimethyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nn2c(C)nnc2c2ccccc12
InChIInChI=1S/C11H10N4/c1-7-9-5-3-4-6-10(9)11-13-12-8(2)15(11)14-7/h3-6H,1-2H3
InChIKeyYLIQBTQJJIWRSF-UHFFFAOYSA-N
XLogP1.89
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 3,6-dimethyl-[1,2,4]triazolo[3,4-a]phthalazine (CID 13185783) is 3,6-dimethyl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 3,6-dimethyl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 3,6-dimethyl-[1,2,4]triazolo[3,4-a]phthalazine is Cc1nn2c(C)nnc2c2ccccc12.
What is the InChIKey of 3,6-dimethyl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is YLIQBTQJJIWRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-7-9-5-3-4-6-10(9)11-13-12-8(2)15(11)14-7/h3-6H,1-2H3.
What are the key properties of 3,6-dimethyl-[1,2,4]triazolo[3,4-a]phthalazine?
3,6-dimethyl-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 198.23 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 13185783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).