3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4,5-tetrazine

C17H19FN8 — CID 3811783

IUPAC3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4,5-tetrazine
SMILESCc1cc(C)n(-c2nnc(N3CCN(c4ccc(F)cc4)CC3)nn2)n1
InChIInChI=1S/C17H19FN8/c1-12-11-13(2)26(23-12)17-21-19-16(20-22-17)25-9-7-24(8-10-25)15-5-3-14(18)4-6-15/h3-6,11H,7-10H2,1-2H3
InChIKeyZLGIVSGBGDQGOY-UHFFFAOYSA-N
MW354.39 g/mol
LogP1.53
Rot. Bonds3

About 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4,5-tetrazine

3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4,5-tetrazine (PubChem CID 3811783) has the molecular formula C17H19FN8 and a molecular weight of 354.39 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4,5-tetrazine
PubChem CID3811783
Molecular FormulaC17H19FN8
Molecular Weight354.39 g/mol
Exact Mass354.17
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4,5-tetrazine
SMILESCc1cc(C)n(-c2nnc(N3CCN(c4ccc(F)cc4)CC3)nn2)n1
InChIInChI=1S/C17H19FN8/c1-12-11-13(2)26(23-12)17-21-19-16(20-22-17)25-9-7-24(8-10-25)15-5-3-14(18)4-6-15/h3-6,11H,7-10H2,1-2H3
InChIKeyZLGIVSGBGDQGOY-UHFFFAOYSA-N
XLogP1.53
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4,5-tetrazine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4,5-tetrazine (CID 3811783) is 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4,5-tetrazine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4,5-tetrazine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4,5-tetrazine is Cc1cc(C)n(-c2nnc(N3CCN(c4ccc(F)cc4)CC3)nn2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4,5-tetrazine?
The InChIKey is ZLGIVSGBGDQGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN8/c1-12-11-13(2)26(23-12)17-21-19-16(20-22-17)25-9-7-24(8-10-25)15-5-3-14(18)4-6-15/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4,5-tetrazine?
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4,5-tetrazine has a molecular weight of 354.39 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4,5-tetrazine is sourced from PubChem (CID 3811783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).