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

C7H9N7 — CID 698500

IUPAC6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine
SMILESCc1cc(C)n(-c2nnc(N)nn2)n1
InChIInChI=1S/C7H9N7/c1-4-3-5(2)14(13-4)7-11-9-6(8)10-12-7/h3H,1-2H3,(H2,8,9,10)
InChIKeyJXJYVOAONGQISS-UHFFFAOYSA-N
MW191.20 g/mol
LogP-0.35
Rot. Bonds1

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

6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine (PubChem CID 698500) has the molecular formula C7H9N7 and a molecular weight of 191.20 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine
PubChem CID698500
Molecular FormulaC7H9N7
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine
SMILESCc1cc(C)n(-c2nnc(N)nn2)n1
InChIInChI=1S/C7H9N7/c1-4-3-5(2)14(13-4)7-11-9-6(8)10-12-7/h3H,1-2H3,(H2,8,9,10)
InChIKeyJXJYVOAONGQISS-UHFFFAOYSA-N
XLogP-0.35
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 5-0.35
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 6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine (CID 698500) is 6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine is Cc1cc(C)n(-c2nnc(N)nn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine?
The InChIKey is JXJYVOAONGQISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7/c1-4-3-5(2)14(13-4)7-11-9-6(8)10-12-7/h3H,1-2H3,(H2,8,9,10).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine?
6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine has a molecular weight of 191.20 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine is sourced from PubChem (CID 698500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).