3-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyridazine

C13H16F3N3 — CID 171327910

IUPAC3-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyridazine
SMILESFC(F)(F)C1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C13H16F3N3/c14-13(15,16)10-5-7-19(8-6-10)12-4-3-11(17-18-12)9-1-2-9/h3-4,9-10H,1-2,5-8H2
InChIKeyKGCQSMFKDBCBRW-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.13
Rot. Bonds2

About 3-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyridazine

3-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyridazine (PubChem CID 171327910) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 3-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyridazine
PubChem CID171327910
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name3-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyridazine
SMILESFC(F)(F)C1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C13H16F3N3/c14-13(15,16)10-5-7-19(8-6-10)12-4-3-11(17-18-12)9-1-2-9/h3-4,9-10H,1-2,5-8H2
InChIKeyKGCQSMFKDBCBRW-UHFFFAOYSA-N
XLogP3.13
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyridazine?
The IUPAC name of 3-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyridazine (CID 171327910) is 3-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyridazine is FC(F)(F)C1CCN(c2ccc(C3CC3)nn2)CC1.
What is the InChIKey of 3-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyridazine?
The InChIKey is KGCQSMFKDBCBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c14-13(15,16)10-5-7-19(8-6-10)12-4-3-11(17-18-12)9-1-2-9/h3-4,9-10H,1-2,5-8H2.
What are the key properties of 3-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyridazine?
3-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyridazine has a molecular weight of 271.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyridazine is sourced from PubChem (CID 171327910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).