6-(4-methoxyphenyl)-3-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine

C15H17N7O — CID 134157169

IUPAC6-(4-methoxyphenyl)-3-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCOc1ccc(-c2nnc3nnc(N4CCCCC4)n3n2)cc1
InChIInChI=1S/C15H17N7O/c1-23-12-7-5-11(6-8-12)13-16-17-14-18-19-15(22(14)20-13)21-9-3-2-4-10-21/h5-8H,2-4,9-10H2,1H3
InChIKeyBQXHXOCHOJREHO-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.58
Rot. Bonds3

About 6-(4-methoxyphenyl)-3-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine

6-(4-methoxyphenyl)-3-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (PubChem CID 134157169) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
PubChem CID134157169
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name6-(4-methoxyphenyl)-3-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCOc1ccc(-c2nnc3nnc(N4CCCCC4)n3n2)cc1
InChIInChI=1S/C15H17N7O/c1-23-12-7-5-11(6-8-12)13-16-17-14-18-19-15(22(14)20-13)21-9-3-2-4-10-21/h5-8H,2-4,9-10H2,1H3
InChIKeyBQXHXOCHOJREHO-UHFFFAOYSA-N
XLogP1.58
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(4-methoxyphenyl)-3-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine with MolForge

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Related Compounds

4-{[5-(4-methoxyphenyl)-2H-tetrazol-2-yl]methyl}-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 1272711
5-(4-methoxyphenyl)-1-(2-phenylethyl)-1H-tetrazole
CID 892565
4-[6-(4-Methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl]morpholine
CID 134142540
4-Benzyl-1-[3-[5-(4-methoxyphenyl)tetrazol-1-yl]propyl]piperidine
CID 137654647
Piperidine, 1-[2-[5-(4-methoxyphenyl)-2H-tetrazol-2-yl]ethyl]-
CID 3074470
5,12-Bis(4-methoxyphenyl)-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 16736637
5-N,7-N-dibenzyl-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 162644766
5-N-benzyl-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 162648149
5-N-benzyl-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 162666644
3-(4-Methoxyphenethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 91889160
4H-1,2,4-Triazol-4-amine, 3,5-bis(4-methoxyphenyl)-
CID 10851455
4-[[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]benzonitrile
CID 53193653

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The IUPAC name of 6-(4-methoxyphenyl)-3-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (CID 134157169) is 6-(4-methoxyphenyl)-3-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The canonical SMILES for 6-(4-methoxyphenyl)-3-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is COc1ccc(-c2nnc3nnc(N4CCCCC4)n3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The InChIKey is BQXHXOCHOJREHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-23-12-7-5-11(6-8-12)13-16-17-14-18-19-15(22(14)20-13)21-9-3-2-4-10-21/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 6-(4-methoxyphenyl)-3-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
6-(4-methoxyphenyl)-3-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine has a molecular weight of 311.35 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is sourced from PubChem (CID 134157169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).