4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine;ethane

C14H23F3N2 — CID 164557688

IUPAC4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine;ethane
SMILESCC.CC.Cc1nnc(C)c(C(F)(F)F)c1C1CC1
InChIInChI=1S/C10H11F3N2.2C2H6/c1-5-8(7-3-4-7)9(10(11,12)13)6(2)15-14-5;2*1-2/h7H,3-4H2,1-2H3;2*1-2H3
InChIKeyXPVSLEAYIPZQDM-UHFFFAOYSA-N
MW276.35 g/mol
LogP5.04
Rot. Bonds1

About 4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine;ethane

4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine;ethane (PubChem CID 164557688) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine;ethane.

Molecular Properties

Compound Name4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine;ethane
PubChem CID164557688
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine;ethane
SMILESCC.CC.Cc1nnc(C)c(C(F)(F)F)c1C1CC1
InChIInChI=1S/C10H11F3N2.2C2H6/c1-5-8(7-3-4-7)9(10(11,12)13)6(2)15-14-5;2*1-2/h7H,3-4H2,1-2H3;2*1-2H3
InChIKeyXPVSLEAYIPZQDM-UHFFFAOYSA-N
XLogP5.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.35
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tetramethylpyridazine
CID 12750033
1,4-Dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
CID 90182986
(5Z)-1,4-bis(trifluoromethyl)-7,8,9,10-tetrahydrocycloocta[d]pyridazine
CID 10803855
Perfluoro(3,5-diisopropylpyridazine)
CID 12696948
(6Z,9Z)-1,4-bis(trifluoromethyl)-5,8-dihydrocycloocta[d]pyridazine
CID 11055486
3,4,5,6-Tetrakis(trifluoromethyl)pyridazine
CID 12633182
4-(1,1-Difluoroethyl)-3,6-dimethylpyridazine
CID 117864780
4-(2-Fluoropropan-2-yl)-3,6-dimethylpyridazine
CID 117865260
6-Tert-butyl-4-(2-fluoropropan-2-yl)-3-methylpyridazine
CID 121391283
6-Tert-butyl-4-(1,1-difluoroethyl)-3-methylpyridazine
CID 121391290
4-(2-Fluoropropan-2-yl)-3-methyl-6-propan-2-ylpyridazine
CID 123989490
4-(1,1-Difluoroethyl)-3-methyl-6-propan-2-ylpyridazine
CID 130284913

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine;ethane?
The IUPAC name of 4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine;ethane (CID 164557688) is 4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine;ethane.
What is the SMILES notation for 4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine;ethane?
The canonical SMILES for 4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine;ethane is CC.CC.Cc1nnc(C)c(C(F)(F)F)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine;ethane?
The InChIKey is XPVSLEAYIPZQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2.2C2H6/c1-5-8(7-3-4-7)9(10(11,12)13)6(2)15-14-5;2*1-2/h7H,3-4H2,1-2H3;2*1-2H3.
What are the key properties of 4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine;ethane?
4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine;ethane has a molecular weight of 276.35 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine;ethane is sourced from PubChem (CID 164557688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).