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

C8H9N11 — CID 135057259

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-(2H-tetrazol-5-yl)-1,2,4,5-tetrazin-3-amine
SMILESCc1cc(C)n(-c2nnc(Nc3nn[nH]n3)nn2)n1
InChIInChI=1S/C8H9N11/c1-4-3-5(2)19(16-4)8-14-10-6(11-15-8)9-7-12-17-18-13-7/h3H,1-2H3,(H2,9,10,11,12,13,17,18)
InChIKeyLZBQTCSBQVRTSV-UHFFFAOYSA-N
MW259.24 g/mol
LogP-0.67
Rot. Bonds3

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

6-(3,5-dimethylpyrazol-1-yl)-N-(2H-tetrazol-5-yl)-1,2,4,5-tetrazin-3-amine (PubChem CID 135057259) has the molecular formula C8H9N11 and a molecular weight of 259.24 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-(2H-tetrazol-5-yl)-1,2,4,5-tetrazin-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-(2H-tetrazol-5-yl)-1,2,4,5-tetrazin-3-amine
PubChem CID135057259
Molecular FormulaC8H9N11
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-(2H-tetrazol-5-yl)-1,2,4,5-tetrazin-3-amine
SMILESCc1cc(C)n(-c2nnc(Nc3nn[nH]n3)nn2)n1
InChIInChI=1S/C8H9N11/c1-4-3-5(2)19(16-4)8-14-10-6(11-15-8)9-7-12-17-18-13-7/h3H,1-2H3,(H2,9,10,11,12,13,17,18)
InChIKeyLZBQTCSBQVRTSV-UHFFFAOYSA-N
XLogP-0.67
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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)-N-(2H-tetrazol-5-yl)-1,2,4,5-tetrazin-3-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(2H-tetrazol-5-yl)-1,2,4,5-tetrazin-3-amine (CID 135057259) is 6-(3,5-dimethylpyrazol-1-yl)-N-(2H-tetrazol-5-yl)-1,2,4,5-tetrazin-3-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-(2H-tetrazol-5-yl)-1,2,4,5-tetrazin-3-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-(2H-tetrazol-5-yl)-1,2,4,5-tetrazin-3-amine is Cc1cc(C)n(-c2nnc(Nc3nn[nH]n3)nn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-(2H-tetrazol-5-yl)-1,2,4,5-tetrazin-3-amine?
The InChIKey is LZBQTCSBQVRTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N11/c1-4-3-5(2)19(16-4)8-14-10-6(11-15-8)9-7-12-17-18-13-7/h3H,1-2H3,(H2,9,10,11,12,13,17,18).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-(2H-tetrazol-5-yl)-1,2,4,5-tetrazin-3-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-(2H-tetrazol-5-yl)-1,2,4,5-tetrazin-3-amine has a molecular weight of 259.24 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-(2H-tetrazol-5-yl)-1,2,4,5-tetrazin-3-amine is sourced from PubChem (CID 135057259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).