3-(3,5-dimethylpyrazol-1-yl)-6-piperidin-1-yl-1,2,4,5-tetrazine

C12H17N7 — CID 10611297

IUPAC3-(3,5-dimethylpyrazol-1-yl)-6-piperidin-1-yl-1,2,4,5-tetrazine
SMILESCc1cc(C)n(-c2nnc(N3CCCCC3)nn2)n1
InChIInChI=1S/C12H17N7/c1-9-8-10(2)19(17-9)12-15-13-11(14-16-12)18-6-4-3-5-7-18/h8H,3-7H2,1-2H3
InChIKeyCMKSNYNBTZCIDW-UHFFFAOYSA-N
MW259.32 g/mol
LogP1.06
Rot. Bonds2

About 3-(3,5-dimethylpyrazol-1-yl)-6-piperidin-1-yl-1,2,4,5-tetrazine

3-(3,5-dimethylpyrazol-1-yl)-6-piperidin-1-yl-1,2,4,5-tetrazine (PubChem CID 10611297) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-6-piperidin-1-yl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-6-piperidin-1-yl-1,2,4,5-tetrazine
PubChem CID10611297
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-6-piperidin-1-yl-1,2,4,5-tetrazine
SMILESCc1cc(C)n(-c2nnc(N3CCCCC3)nn2)n1
InChIInChI=1S/C12H17N7/c1-9-8-10(2)19(17-9)12-15-13-11(14-16-12)18-6-4-3-5-7-18/h8H,3-7H2,1-2H3
InChIKeyCMKSNYNBTZCIDW-UHFFFAOYSA-N
XLogP1.06
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-piperidin-1-yl-1,2,4,5-tetrazine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-piperidin-1-yl-1,2,4,5-tetrazine (CID 10611297) is 3-(3,5-dimethylpyrazol-1-yl)-6-piperidin-1-yl-1,2,4,5-tetrazine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-6-piperidin-1-yl-1,2,4,5-tetrazine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-6-piperidin-1-yl-1,2,4,5-tetrazine is Cc1cc(C)n(-c2nnc(N3CCCCC3)nn2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-6-piperidin-1-yl-1,2,4,5-tetrazine?
The InChIKey is CMKSNYNBTZCIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-9-8-10(2)19(17-9)12-15-13-11(14-16-12)18-6-4-3-5-7-18/h8H,3-7H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-6-piperidin-1-yl-1,2,4,5-tetrazine?
3-(3,5-dimethylpyrazol-1-yl)-6-piperidin-1-yl-1,2,4,5-tetrazine has a molecular weight of 259.32 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-6-piperidin-1-yl-1,2,4,5-tetrazine is sourced from PubChem (CID 10611297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).