5-piperidin-1-yltetrazolo[1,5-a][1,3,5]triazin-7-olate

C8H10N7O- — CID 102585359

IUPAC5-piperidin-1-yltetrazolo[1,5-a][1,3,5]triazin-7-olate
SMILES[O-]c1nc(N2CCCCC2)nc2nnnn12
InChIInChI=1S/C8H11N7O/c16-8-10-6(14-4-2-1-3-5-14)9-7-11-12-13-15(7)8/h1-5H2,(H,9,10,11,13,16)/p-1
InChIKeyHXUHMHGUCLCHPK-UHFFFAOYSA-M
MW220.22 g/mol
LogP-1.02
Rot. Bonds1

About 5-piperidin-1-yltetrazolo[1,5-a][1,3,5]triazin-7-olate

5-piperidin-1-yltetrazolo[1,5-a][1,3,5]triazin-7-olate (PubChem CID 102585359) has the molecular formula C8H10N7O- and a molecular weight of 220.22 g/mol. Its IUPAC name is 5-piperidin-1-yltetrazolo[1,5-a][1,3,5]triazin-7-olate.

Molecular Properties

Compound Name5-piperidin-1-yltetrazolo[1,5-a][1,3,5]triazin-7-olate
PubChem CID102585359
Molecular FormulaC8H10N7O-
Molecular Weight220.22 g/mol
Exact Mass220.10
IUPAC Name5-piperidin-1-yltetrazolo[1,5-a][1,3,5]triazin-7-olate
SMILES[O-]c1nc(N2CCCCC2)nc2nnnn12
InChIInChI=1S/C8H11N7O/c16-8-10-6(14-4-2-1-3-5-14)9-7-11-12-13-15(7)8/h1-5H2,(H,9,10,11,13,16)/p-1
InChIKeyHXUHMHGUCLCHPK-UHFFFAOYSA-M
XLogP-1.02
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-1.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yltetrazolo[1,5-a][1,3,5]triazin-7-olate?
The IUPAC name of 5-piperidin-1-yltetrazolo[1,5-a][1,3,5]triazin-7-olate (CID 102585359) is 5-piperidin-1-yltetrazolo[1,5-a][1,3,5]triazin-7-olate.
What is the SMILES notation for 5-piperidin-1-yltetrazolo[1,5-a][1,3,5]triazin-7-olate?
The canonical SMILES for 5-piperidin-1-yltetrazolo[1,5-a][1,3,5]triazin-7-olate is [O-]c1nc(N2CCCCC2)nc2nnnn12.
What is the InChIKey of 5-piperidin-1-yltetrazolo[1,5-a][1,3,5]triazin-7-olate?
The InChIKey is HXUHMHGUCLCHPK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11N7O/c16-8-10-6(14-4-2-1-3-5-14)9-7-11-12-13-15(7)8/h1-5H2,(H,9,10,11,13,16)/p-1.
What are the key properties of 5-piperidin-1-yltetrazolo[1,5-a][1,3,5]triazin-7-olate?
5-piperidin-1-yltetrazolo[1,5-a][1,3,5]triazin-7-olate has a molecular weight of 220.22 g/mol, XLogP of -1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yltetrazolo[1,5-a][1,3,5]triazin-7-olate is sourced from PubChem (CID 102585359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).