3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-6-(trifluoromethyl)pyridazine

C16H15F3N8 — CID 133418446

IUPAC3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)nn1
InChIInChI=1S/C16H15F3N8/c17-16(18,19)13-6-7-14(21-20-13)25-8-10-26(11-9-25)15-22-23-24-27(15)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyNGQAUCRXDXYHPM-UHFFFAOYSA-N
MW376.35 g/mol
LogP1.80
Rot. Bonds3

About 3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-6-(trifluoromethyl)pyridazine

3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-6-(trifluoromethyl)pyridazine (PubChem CID 133418446) has the molecular formula C16H15F3N8 and a molecular weight of 376.35 g/mol. Its IUPAC name is 3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-6-(trifluoromethyl)pyridazine
PubChem CID133418446
Molecular FormulaC16H15F3N8
Molecular Weight376.35 g/mol
Exact Mass376.14
IUPAC Name3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)nn1
InChIInChI=1S/C16H15F3N8/c17-16(18,19)13-6-7-14(21-20-13)25-8-10-26(11-9-25)15-22-23-24-27(15)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyNGQAUCRXDXYHPM-UHFFFAOYSA-N
XLogP1.80
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-6-(trifluoromethyl)pyridazine (CID 133418446) is 3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-6-(trifluoromethyl)pyridazine is FC(F)(F)c1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)nn1.
What is the InChIKey of 3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-6-(trifluoromethyl)pyridazine?
The InChIKey is NGQAUCRXDXYHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N8/c17-16(18,19)13-6-7-14(21-20-13)25-8-10-26(11-9-25)15-22-23-24-27(15)12-4-2-1-3-5-12/h1-7H,8-11H2.
What are the key properties of 3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-6-(trifluoromethyl)pyridazine?
3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-6-(trifluoromethyl)pyridazine has a molecular weight of 376.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 133418446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).