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

C14H15N13 — CID 122384610

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazin-3-amine
SMILESCc1cc(C)n(-c2nnc(Nc3nnc(-n4nc(C)cc4C)nn3)nn2)n1
InChIInChI=1S/C14H15N13/c1-7-5-9(3)26(24-7)13-20-16-11(17-21-13)15-12-18-22-14(23-19-12)27-10(4)6-8(2)25-27/h5-6H,1-4H3,(H,15,16,17,18,19)
InChIKeySNHSAVDKKGPCFM-UHFFFAOYSA-N
MW365.37 g/mol
LogP0.20
Rot. Bonds4

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

6-(3,5-dimethylpyrazol-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazin-3-amine (PubChem CID 122384610) has the molecular formula C14H15N13 and a molecular weight of 365.37 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazin-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazin-3-amine
PubChem CID122384610
Molecular FormulaC14H15N13
Molecular Weight365.37 g/mol
Exact Mass365.16
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazin-3-amine
SMILESCc1cc(C)n(-c2nnc(Nc3nnc(-n4nc(C)cc4C)nn3)nn2)n1
InChIInChI=1S/C14H15N13/c1-7-5-9(3)26(24-7)13-20-16-11(17-21-13)15-12-18-22-14(23-19-12)27-10(4)6-8(2)25-27/h5-6H,1-4H3,(H,15,16,17,18,19)
InChIKeySNHSAVDKKGPCFM-UHFFFAOYSA-N
XLogP0.20
TPSA150.79 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.37
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazin-3-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazin-3-amine (CID 122384610) is 6-(3,5-dimethylpyrazol-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazin-3-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazin-3-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazin-3-amine is Cc1cc(C)n(-c2nnc(Nc3nnc(-n4nc(C)cc4C)nn3)nn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazin-3-amine?
The InChIKey is SNHSAVDKKGPCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N13/c1-7-5-9(3)26(24-7)13-20-16-11(17-21-13)15-12-18-22-14(23-19-12)27-10(4)6-8(2)25-27/h5-6H,1-4H3,(H,15,16,17,18,19).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazin-3-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazin-3-amine has a molecular weight of 365.37 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazin-3-amine is sourced from PubChem (CID 122384610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).