3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyridazine

C11H15F3N4 — CID 174490330

IUPAC3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyridazine
SMILESCC(N1CCN(c2cccnn2)CC1)C(F)(F)F
InChIInChI=1S/C11H15F3N4/c1-9(11(12,13)14)17-5-7-18(8-6-17)10-3-2-4-15-16-10/h2-4,9H,5-8H2,1H3
InChIKeyRUSVECVEEJUTPF-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.55
Rot. Bonds2

About 3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyridazine

3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyridazine (PubChem CID 174490330) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyridazine
PubChem CID174490330
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyridazine
SMILESCC(N1CCN(c2cccnn2)CC1)C(F)(F)F
InChIInChI=1S/C11H15F3N4/c1-9(11(12,13)14)17-5-7-18(8-6-17)10-3-2-4-15-16-10/h2-4,9H,5-8H2,1H3
InChIKeyRUSVECVEEJUTPF-UHFFFAOYSA-N
XLogP1.55
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyridazine (CID 174490330) is 3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyridazine is CC(N1CCN(c2cccnn2)CC1)C(F)(F)F.
What is the InChIKey of 3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyridazine?
The InChIKey is RUSVECVEEJUTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-9(11(12,13)14)17-5-7-18(8-6-17)10-3-2-4-15-16-10/h2-4,9H,5-8H2,1H3.
What are the key properties of 3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyridazine?
3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyridazine has a molecular weight of 260.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 174490330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).