4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridazine

C8H6F3N5 — CID 162632573

IUPAC4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridazine
SMILESCn1nc(-c2ccnnc2)nc1C(F)(F)F
InChIInChI=1S/C8H6F3N5/c1-16-7(8(9,10)11)14-6(15-16)5-2-3-12-13-4-5/h2-4H,1H3
InChIKeyYCDLTZVPWDVMGD-UHFFFAOYSA-N
MW229.17 g/mol
LogP1.29
Rot. Bonds1

About 4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridazine

4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridazine (PubChem CID 162632573) has the molecular formula C8H6F3N5 and a molecular weight of 229.17 g/mol. Its IUPAC name is 4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridazine.

Molecular Properties

Compound Name4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridazine
PubChem CID162632573
Molecular FormulaC8H6F3N5
Molecular Weight229.17 g/mol
Exact Mass229.06
IUPAC Name4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridazine
SMILESCn1nc(-c2ccnnc2)nc1C(F)(F)F
InChIInChI=1S/C8H6F3N5/c1-16-7(8(9,10)11)14-6(15-16)5-2-3-12-13-4-5/h2-4H,1H3
InChIKeyYCDLTZVPWDVMGD-UHFFFAOYSA-N
XLogP1.29
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-Methyl-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 53629202
7-Methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 53629203
(E)-N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]ethenamine
CID 57742986
(E)-N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]ethenamine
CID 57743016
8-(Trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 66788433
8-(Difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 68760259
N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]ethenamine
CID 90996363
N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]ethenamine
CID 91239321
2-[1-Methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidine
CID 140309869
8-Methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;propane
CID 143347897
8-Methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 584076
[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridazin-4-yl]methanamine
CID 80508237

Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridazine?
The IUPAC name of 4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridazine (CID 162632573) is 4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridazine.
What is the SMILES notation for 4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridazine?
The canonical SMILES for 4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridazine is Cn1nc(-c2ccnnc2)nc1C(F)(F)F.
What is the InChIKey of 4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridazine?
The InChIKey is YCDLTZVPWDVMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5/c1-16-7(8(9,10)11)14-6(15-16)5-2-3-12-13-4-5/h2-4H,1H3.
What are the key properties of 4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridazine?
4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridazine has a molecular weight of 229.17 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridazine is sourced from PubChem (CID 162632573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).