3-[[4-[2-fluoro-3-(2-methylpropyl)-6-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]methyl]pyridazine

C20H25FN8 — CID 167443587

IUPAC3-[[4-[2-fluoro-3-(2-methylpropyl)-6-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]methyl]pyridazine
SMILESCC(C)Cc1ccc(-c2nn[nH]n2)c(N2CCN(Cc3cccnn3)CC2)c1F
InChIInChI=1S/C20H25FN8/c1-14(2)12-15-5-6-17(20-24-26-27-25-20)19(18(15)21)29-10-8-28(9-11-29)13-16-4-3-7-22-23-16/h3-7,14H,8-13H2,1-2H3,(H,24,25,26,27)
InChIKeyGEQXGWNOAHRWOP-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.32
Rot. Bonds6

About 3-[[4-[2-fluoro-3-(2-methylpropyl)-6-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]methyl]pyridazine

3-[[4-[2-fluoro-3-(2-methylpropyl)-6-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]methyl]pyridazine (PubChem CID 167443587) has the molecular formula C20H25FN8 and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-[[4-[2-fluoro-3-(2-methylpropyl)-6-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]methyl]pyridazine.

Molecular Properties

Compound Name3-[[4-[2-fluoro-3-(2-methylpropyl)-6-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]methyl]pyridazine
PubChem CID167443587
Molecular FormulaC20H25FN8
Molecular Weight396.47 g/mol
Exact Mass396.22
IUPAC Name3-[[4-[2-fluoro-3-(2-methylpropyl)-6-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]methyl]pyridazine
SMILESCC(C)Cc1ccc(-c2nn[nH]n2)c(N2CCN(Cc3cccnn3)CC2)c1F
InChIInChI=1S/C20H25FN8/c1-14(2)12-15-5-6-17(20-24-26-27-25-20)19(18(15)21)29-10-8-28(9-11-29)13-16-4-3-7-22-23-16/h3-7,14H,8-13H2,1-2H3,(H,24,25,26,27)
InChIKeyGEQXGWNOAHRWOP-UHFFFAOYSA-N
XLogP2.32
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-fluoro-3-(2-methylpropyl)-6-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]methyl]pyridazine?
The IUPAC name of 3-[[4-[2-fluoro-3-(2-methylpropyl)-6-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]methyl]pyridazine (CID 167443587) is 3-[[4-[2-fluoro-3-(2-methylpropyl)-6-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]methyl]pyridazine.
What is the SMILES notation for 3-[[4-[2-fluoro-3-(2-methylpropyl)-6-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]methyl]pyridazine?
The canonical SMILES for 3-[[4-[2-fluoro-3-(2-methylpropyl)-6-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]methyl]pyridazine is CC(C)Cc1ccc(-c2nn[nH]n2)c(N2CCN(Cc3cccnn3)CC2)c1F.
What is the InChIKey of 3-[[4-[2-fluoro-3-(2-methylpropyl)-6-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]methyl]pyridazine?
The InChIKey is GEQXGWNOAHRWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN8/c1-14(2)12-15-5-6-17(20-24-26-27-25-20)19(18(15)21)29-10-8-28(9-11-29)13-16-4-3-7-22-23-16/h3-7,14H,8-13H2,1-2H3,(H,24,25,26,27).
What are the key properties of 3-[[4-[2-fluoro-3-(2-methylpropyl)-6-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]methyl]pyridazine?
3-[[4-[2-fluoro-3-(2-methylpropyl)-6-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]methyl]pyridazine has a molecular weight of 396.47 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-fluoro-3-(2-methylpropyl)-6-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]methyl]pyridazine is sourced from PubChem (CID 167443587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).