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

C10H11F3N2 — CID 164557689

IUPAC4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine
SMILESCc1nnc(C)c(C(F)(F)F)c1C1CC1
InChIInChI=1S/C10H11F3N2/c1-5-8(7-3-4-7)9(10(11,12)13)6(2)15-14-5/h7H,3-4H2,1-2H3
InChIKeyNQBVIJMJMADGNW-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.99
Rot. Bonds1

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

4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine (PubChem CID 164557689) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine
PubChem CID164557689
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine
SMILESCc1nnc(C)c(C(F)(F)F)c1C1CC1
InChIInChI=1S/C10H11F3N2/c1-5-8(7-3-4-7)9(10(11,12)13)6(2)15-14-5/h7H,3-4H2,1-2H3
InChIKeyNQBVIJMJMADGNW-UHFFFAOYSA-N
XLogP2.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.99
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
3,6-Bis(trifluoromethyl)-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene
CID 15665407
(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-(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?
The IUPAC name of 4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine (CID 164557689) is 4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine.
What is the SMILES notation for 4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine?
The canonical SMILES for 4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine is Cc1nnc(C)c(C(F)(F)F)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine?
The InChIKey is NQBVIJMJMADGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c1-5-8(7-3-4-7)9(10(11,12)13)6(2)15-14-5/h7H,3-4H2,1-2H3.
What are the key properties of 4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine?
4-cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine has a molecular weight of 216.21 g/mol, XLogP of 2.99, 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 is sourced from PubChem (CID 164557689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).