6-propyl-3-(trifluoromethyl)-1,6-dihydropyridazine

C8H11F3N2 — CID 162583468

IUPAC6-propyl-3-(trifluoromethyl)-1,6-dihydropyridazine
SMILESCCCC1C=CC(C(F)(F)F)=NN1
InChIInChI=1S/C8H11F3N2/c1-2-3-6-4-5-7(13-12-6)8(9,10)11/h4-6,12H,2-3H2,1H3
InChIKeyQHLVYPQPZUUXPO-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.23
Rot. Bonds2

About 6-propyl-3-(trifluoromethyl)-1,6-dihydropyridazine

6-propyl-3-(trifluoromethyl)-1,6-dihydropyridazine (PubChem CID 162583468) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 6-propyl-3-(trifluoromethyl)-1,6-dihydropyridazine.

Molecular Properties

Compound Name6-propyl-3-(trifluoromethyl)-1,6-dihydropyridazine
PubChem CID162583468
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name6-propyl-3-(trifluoromethyl)-1,6-dihydropyridazine
SMILESCCCC1C=CC(C(F)(F)F)=NN1
InChIInChI=1S/C8H11F3N2/c1-2-3-6-4-5-7(13-12-6)8(9,10)11/h4-6,12H,2-3H2,1H3
InChIKeyQHLVYPQPZUUXPO-UHFFFAOYSA-N
XLogP2.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-3-(trifluoromethyl)-1,6-dihydropyridazine?
The IUPAC name of 6-propyl-3-(trifluoromethyl)-1,6-dihydropyridazine (CID 162583468) is 6-propyl-3-(trifluoromethyl)-1,6-dihydropyridazine.
What is the SMILES notation for 6-propyl-3-(trifluoromethyl)-1,6-dihydropyridazine?
The canonical SMILES for 6-propyl-3-(trifluoromethyl)-1,6-dihydropyridazine is CCCC1C=CC(C(F)(F)F)=NN1.
What is the InChIKey of 6-propyl-3-(trifluoromethyl)-1,6-dihydropyridazine?
The InChIKey is QHLVYPQPZUUXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-2-3-6-4-5-7(13-12-6)8(9,10)11/h4-6,12H,2-3H2,1H3.
What are the key properties of 6-propyl-3-(trifluoromethyl)-1,6-dihydropyridazine?
6-propyl-3-(trifluoromethyl)-1,6-dihydropyridazine has a molecular weight of 192.18 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-3-(trifluoromethyl)-1,6-dihydropyridazine is sourced from PubChem (CID 162583468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).