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

C9H10N12 — CID 122384611

IUPAC3-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazine-3,6-diamine
SMILESCc1cc(C)n(-c2nnc(Nc3nnc(N)nn3)nn2)n1
InChIInChI=1S/C9H10N12/c1-4-3-5(2)21(20-4)9-18-16-8(17-19-9)11-7-14-12-6(10)13-15-7/h3H,1-2H3,(H2,10,12,13)(H,11,14,15,16,17)
InChIKeyRMGMUPIZARKLBD-UHFFFAOYSA-N
MW286.26 g/mol
LogP-1.03
Rot. Bonds3

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

3-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazine-3,6-diamine (PubChem CID 122384611) has the molecular formula C9H10N12 and a molecular weight of 286.26 g/mol. Its IUPAC name is 3-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazine-3,6-diamine.

Molecular Properties

Compound Name3-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazine-3,6-diamine
PubChem CID122384611
Molecular FormulaC9H10N12
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name3-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazine-3,6-diamine
SMILESCc1cc(C)n(-c2nnc(Nc3nnc(N)nn3)nn2)n1
InChIInChI=1S/C9H10N12/c1-4-3-5(2)21(20-4)9-18-16-8(17-19-9)11-7-14-12-6(10)13-15-7/h3H,1-2H3,(H2,10,12,13)(H,11,14,15,16,17)
InChIKeyRMGMUPIZARKLBD-UHFFFAOYSA-N
XLogP-1.03
TPSA158.99 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.26
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

N-(tert-butyl)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetraazin-3-amine
CID 822855
3,6-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine
CID 577984
1,2,4,5-Tetrazin-3-amine, 6-(3,5-dimethyl-1H-pyrazol-1-yl)-
CID 698500
N~1~,N~2~-bis[6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetraazin-3-yl]-1,2-ethanediamine
CID 10763953
3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-hydrazinyl-1,2,4,5-tetrazine
CID 10798309
3-(3,5-Dimethyl-1h-pyrazol-1-yl)-6-methoxy-1,2,4,5-tetrazine
CID 85772562
6-(3,5-dimethylpyrazol-1-yl)-N-(2H-tetrazol-5-yl)-1,2,4,5-tetrazin-3-amine
CID 135057259
3-(3,5-Dimethylpyrazol-1-yl)-6-(3-methyl-5-trifluoromethylpyrazol-1-yl)-1,2,4,5-tetrazine
CID 129873913
3,6-Di(3-methyl-5-trifluoromethylpyrazol-1-yl)-1,2,4,5-tetrazine
CID 129874100
3-(3,5-Dimethyl-pyrazol-1-yl)-6-(piperidin-1-yl)-1,2,4,5-tetrazine
CID 10611297
3-(3,5-Dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine
CID 10631099
1,2-Bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]hydrazine
CID 18324152

Frequently Asked Questions

What is the IUPAC name of 3-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazine-3,6-diamine?
The IUPAC name of 3-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazine-3,6-diamine (CID 122384611) is 3-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazine-3,6-diamine.
What is the SMILES notation for 3-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazine-3,6-diamine?
The canonical SMILES for 3-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazine-3,6-diamine is Cc1cc(C)n(-c2nnc(Nc3nnc(N)nn3)nn2)n1.
What is the InChIKey of 3-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazine-3,6-diamine?
The InChIKey is RMGMUPIZARKLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N12/c1-4-3-5(2)21(20-4)9-18-16-8(17-19-9)11-7-14-12-6(10)13-15-7/h3H,1-2H3,(H2,10,12,13)(H,11,14,15,16,17).
What are the key properties of 3-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazine-3,6-diamine?
3-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazine-3,6-diamine has a molecular weight of 286.26 g/mol, XLogP of -1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazine-3,6-diamine is sourced from PubChem (CID 122384611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).