4-cyclopropyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine

C14H19F3N2 — CID 171408426

IUPAC4-cyclopropyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine
SMILESCC(C)c1nnc(C(C)C)c(C(F)(F)F)c1C1CC1
InChIInChI=1S/C14H19F3N2/c1-7(2)12-10(9-5-6-9)11(14(15,16)17)13(8(3)4)19-18-12/h7-9H,5-6H2,1-4H3
InChIKeyMKASGFAPEZKUNZ-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.62
Rot. Bonds3

About 4-cyclopropyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine

4-cyclopropyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine (PubChem CID 171408426) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-cyclopropyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name4-cyclopropyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine
PubChem CID171408426
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name4-cyclopropyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine
SMILESCC(C)c1nnc(C(C)C)c(C(F)(F)F)c1C1CC1
InChIInChI=1S/C14H19F3N2/c1-7(2)12-10(9-5-6-9)11(14(15,16)17)13(8(3)4)19-18-12/h7-9H,5-6H2,1-4H3
InChIKeyMKASGFAPEZKUNZ-UHFFFAOYSA-N
XLogP4.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tetramethylpyridazine
CID 12750033
4,5-Diazaindan, 6,7-dimethyl-
CID 58890735
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
Cinnoline, 5,6,7,8-tetrahydro-3,4-dimethyl-
CID 165339766
(6Z,9Z)-1,4-bis(trifluoromethyl)-5,8-dihydrocycloocta[d]pyridazine
CID 11055486
3,4,5,6-Tetrakis(trifluoromethyl)pyridazine
CID 12633182
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-di(propan-2-yl)-5-(trifluoromethyl)pyridazine?
The IUPAC name of 4-cyclopropyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine (CID 171408426) is 4-cyclopropyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine.
What is the SMILES notation for 4-cyclopropyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine?
The canonical SMILES for 4-cyclopropyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine is CC(C)c1nnc(C(C)C)c(C(F)(F)F)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine?
The InChIKey is MKASGFAPEZKUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-7(2)12-10(9-5-6-9)11(14(15,16)17)13(8(3)4)19-18-12/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-cyclopropyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine?
4-cyclopropyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine has a molecular weight of 272.31 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine is sourced from PubChem (CID 171408426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).