N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine

C13H19N7 — CID 578915

IUPACN-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine
SMILESCc1cc(C)n(-c2nnc(NC3CCCCC3)nn2)n1
InChIInChI=1S/C13H19N7/c1-9-8-10(2)20(19-9)13-17-15-12(16-18-13)14-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyDEBMDTKQWCJVER-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.81
Rot. Bonds3

About N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine

N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine (PubChem CID 578915) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine
PubChem CID578915
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC NameN-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine
SMILESCc1cc(C)n(-c2nnc(NC3CCCCC3)nn2)n1
InChIInChI=1S/C13H19N7/c1-9-8-10(2)20(19-9)13-17-15-12(16-18-13)14-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyDEBMDTKQWCJVER-UHFFFAOYSA-N
XLogP1.81
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.81
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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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine?
The IUPAC name of N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine (CID 578915) is N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine.
What is the SMILES notation for N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine?
The canonical SMILES for N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine is Cc1cc(C)n(-c2nnc(NC3CCCCC3)nn2)n1.
What is the InChIKey of N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine?
The InChIKey is DEBMDTKQWCJVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c1-9-8-10(2)20(19-9)13-17-15-12(16-18-13)14-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine?
N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine has a molecular weight of 273.34 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine is sourced from PubChem (CID 578915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).