6-cyclohexyl-5,7-dihydro-4H-tetrazolo[1,5-a][1,3,5]triazine

C9H16N6 — CID 939392

IUPAC6-cyclohexyl-5,7-dihydro-4H-tetrazolo[1,5-a][1,3,5]triazine
SMILESC1CCC(N2CNc3nnnn3C2)CC1
InChIInChI=1S/C9H16N6/c1-2-4-8(5-3-1)14-6-10-9-11-12-13-15(9)7-14/h8H,1-7H2,(H,10,11,13)
InChIKeyBXHKXSXWHUUWNL-UHFFFAOYSA-N
MW208.27 g/mol
LogP0.65
Rot. Bonds1

About 6-cyclohexyl-5,7-dihydro-4H-tetrazolo[1,5-a][1,3,5]triazine

6-cyclohexyl-5,7-dihydro-4H-tetrazolo[1,5-a][1,3,5]triazine (PubChem CID 939392) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is 6-cyclohexyl-5,7-dihydro-4H-tetrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name6-cyclohexyl-5,7-dihydro-4H-tetrazolo[1,5-a][1,3,5]triazine
PubChem CID939392
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name6-cyclohexyl-5,7-dihydro-4H-tetrazolo[1,5-a][1,3,5]triazine
SMILESC1CCC(N2CNc3nnnn3C2)CC1
InChIInChI=1S/C9H16N6/c1-2-4-8(5-3-1)14-6-10-9-11-12-13-15(9)7-14/h8H,1-7H2,(H,10,11,13)
InChIKeyBXHKXSXWHUUWNL-UHFFFAOYSA-N
XLogP0.65
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-5,7-dihydro-4H-tetrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 6-cyclohexyl-5,7-dihydro-4H-tetrazolo[1,5-a][1,3,5]triazine (CID 939392) is 6-cyclohexyl-5,7-dihydro-4H-tetrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 6-cyclohexyl-5,7-dihydro-4H-tetrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 6-cyclohexyl-5,7-dihydro-4H-tetrazolo[1,5-a][1,3,5]triazine is C1CCC(N2CNc3nnnn3C2)CC1.
What is the InChIKey of 6-cyclohexyl-5,7-dihydro-4H-tetrazolo[1,5-a][1,3,5]triazine?
The InChIKey is BXHKXSXWHUUWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-2-4-8(5-3-1)14-6-10-9-11-12-13-15(9)7-14/h8H,1-7H2,(H,10,11,13).
What are the key properties of 6-cyclohexyl-5,7-dihydro-4H-tetrazolo[1,5-a][1,3,5]triazine?
6-cyclohexyl-5,7-dihydro-4H-tetrazolo[1,5-a][1,3,5]triazine has a molecular weight of 208.27 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-5,7-dihydro-4H-tetrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 939392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).