3-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine

C12H10N4 — CID 12726814

IUPAC3-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(-c3ccccc3)nn12
InChIInChI=1S/C12H10N4/c1-9-13-14-12-8-7-11(15-16(9)12)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyOAVPGZZEIGFNCJ-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.10
Rot. Bonds1

About 3-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine

3-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 12726814) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID12726814
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name3-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(-c3ccccc3)nn12
InChIInChI=1S/C12H10N4/c1-9-13-14-12-8-7-11(15-16(9)12)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyOAVPGZZEIGFNCJ-UHFFFAOYSA-N
XLogP2.10
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 12726814) is 3-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nnc2ccc(-c3ccccc3)nn12.
What is the InChIKey of 3-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is OAVPGZZEIGFNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-9-13-14-12-8-7-11(15-16(9)12)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 3-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
3-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 210.24 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 12726814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).