6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

C9H11F3N4 — CID 177123243

IUPAC6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)C1=Nn2c(nnc2C(F)(F)F)CC1
InChIInChI=1S/C9H11F3N4/c1-5(2)6-3-4-7-13-14-8(9(10,11)12)16(7)15-6/h5H,3-4H2,1-2H3
InChIKeyAMICELROQQFJKR-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.10
Rot. Bonds1

About 6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 177123243) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is 6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID177123243
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)C1=Nn2c(nnc2C(F)(F)F)CC1
InChIInChI=1S/C9H11F3N4/c1-5(2)6-3-4-7-13-14-8(9(10,11)12)16(7)15-6/h5H,3-4H2,1-2H3
InChIKeyAMICELROQQFJKR-UHFFFAOYSA-N
XLogP2.10
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Ethyl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
CID 176983728
3-(heptan-3-yl)-6-methyl-7H-pyrazolo[5,1-c][1,2,4]triazole
CID 91700800

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (CID 177123243) is 6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is CC(C)C1=Nn2c(nnc2C(F)(F)F)CC1.
What is the InChIKey of 6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is AMICELROQQFJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4/c1-5(2)6-3-4-7-13-14-8(9(10,11)12)16(7)15-6/h5H,3-4H2,1-2H3.
What are the key properties of 6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 232.21 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 6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 177123243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).