N-cyclohexyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine

C9H13N7 — CID 127043905

IUPACN-cyclohexyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine
SMILESc1nnc2nnc(NC3CCCCC3)nn12
InChIInChI=1S/C9H13N7/c1-2-4-7(5-3-1)11-8-12-14-9-13-10-6-16(9)15-8/h6-7H,1-5H2,(H,11,15)
InChIKeyAZHUGXVRBVCAGB-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.66
Rot. Bonds2

About N-cyclohexyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine

N-cyclohexyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine (PubChem CID 127043905) has the molecular formula C9H13N7 and a molecular weight of 219.25 g/mol. Its IUPAC name is N-cyclohexyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine.

Molecular Properties

Compound NameN-cyclohexyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine
PubChem CID127043905
Molecular FormulaC9H13N7
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC NameN-cyclohexyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine
SMILESc1nnc2nnc(NC3CCCCC3)nn12
InChIInChI=1S/C9H13N7/c1-2-4-7(5-3-1)11-8-12-14-9-13-10-6-16(9)15-8/h6-7H,1-5H2,(H,11,15)
InChIKeyAZHUGXVRBVCAGB-UHFFFAOYSA-N
XLogP0.66
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine
CID 578915
N-cyclohexyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941042
2-N-cycloheptylpyrimidine-2,5-diamine
CID 61147383
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine
CID 60762129
N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine
CID 115354929
N-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384580
N-cyclohexyl-2H-tetrazol-5-amine
CID 67803825
N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine
CID 134088447
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine
CID 43703015
1-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)urea
CID 110401716
N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62859800
N-cyclohexyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 15184090

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine?
The IUPAC name of N-cyclohexyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine (CID 127043905) is N-cyclohexyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine.
What is the SMILES notation for N-cyclohexyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine?
The canonical SMILES for N-cyclohexyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine is c1nnc2nnc(NC3CCCCC3)nn12.
What is the InChIKey of N-cyclohexyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine?
The InChIKey is AZHUGXVRBVCAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7/c1-2-4-7(5-3-1)11-8-12-14-9-13-10-6-16(9)15-8/h6-7H,1-5H2,(H,11,15).
What are the key properties of N-cyclohexyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine?
N-cyclohexyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine has a molecular weight of 219.25 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine is sourced from PubChem (CID 127043905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).