1,2-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]hydrazine

C14H16N14 — CID 18324152

IUPAC1,2-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]hydrazine
SMILESCc1cc(C)n(-c2nnc(NNc3nnc(-n4nc(C)cc4C)nn3)nn2)n1
InChIInChI=1S/C14H16N14/c1-7-5-9(3)27(25-7)13-21-17-11(18-22-13)15-16-12-19-23-14(24-20-12)28-10(4)6-8(2)26-28/h5-6H,1-4H3,(H,15,17,18)(H,16,19,20)
InChIKeyAKBOEAHYIPXGKT-UHFFFAOYSA-N
MW380.38 g/mol
LogP-0.11
Rot. Bonds5

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

1,2-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]hydrazine (PubChem CID 18324152) has the molecular formula C14H16N14 and a molecular weight of 380.38 g/mol. Its IUPAC name is 1,2-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]hydrazine.

Molecular Properties

Compound Name1,2-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]hydrazine
PubChem CID18324152
Molecular FormulaC14H16N14
Molecular Weight380.38 g/mol
Exact Mass380.17
IUPAC Name1,2-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]hydrazine
SMILESCc1cc(C)n(-c2nnc(NNc3nnc(-n4nc(C)cc4C)nn3)nn2)n1
InChIInChI=1S/C14H16N14/c1-7-5-9(3)27(25-7)13-21-17-11(18-22-13)15-16-12-19-23-14(24-20-12)28-10(4)6-8(2)26-28/h5-6H,1-4H3,(H,15,17,18)(H,16,19,20)
InChIKeyAKBOEAHYIPXGKT-UHFFFAOYSA-N
XLogP-0.11
TPSA162.82 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.38
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

5-(3,5-dimethyl-1H-pyrazol-1-yl)-1H-tetrazole
CID 534038
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
3,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2-dihydro-1,2,4,5-tetraazine
CID 780411
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
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
6-(3,5-dimethyl-1h-pyrazol-1-yl)-N-[6-(3,5-dimethyl-1h-pyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazin-3-amine
CID 122384610
N-[6-(3,5-dimethyl-1h-pyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazine-3,6-diamine
CID 122384611
3-N,6-N-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]-1,2,4,5-tetrazine-3,6-diamine
CID 122384612

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]hydrazine?
The IUPAC name of 1,2-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]hydrazine (CID 18324152) is 1,2-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]hydrazine.
What is the SMILES notation for 1,2-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]hydrazine?
The canonical SMILES for 1,2-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]hydrazine is Cc1cc(C)n(-c2nnc(NNc3nnc(-n4nc(C)cc4C)nn3)nn2)n1.
What is the InChIKey of 1,2-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]hydrazine?
The InChIKey is AKBOEAHYIPXGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N14/c1-7-5-9(3)27(25-7)13-21-17-11(18-22-13)15-16-12-19-23-14(24-20-12)28-10(4)6-8(2)26-28/h5-6H,1-4H3,(H,15,17,18)(H,16,19,20).
What are the key properties of 1,2-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]hydrazine?
1,2-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]hydrazine has a molecular weight of 380.38 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]hydrazine is sourced from PubChem (CID 18324152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).