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

C18H31N7 — CID 142764185

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-undecyl-1,2,4,5-tetrazin-3-amine
SMILESCCCCCCCCCCCNc1nnc(-n2nc(C)cc2C)nn1
InChIInChI=1S/C18H31N7/c1-4-5-6-7-8-9-10-11-12-13-19-17-20-22-18(23-21-17)25-16(3)14-15(2)24-25/h14H,4-13H2,1-3H3,(H,19,20,21)
InChIKeyUQXUYHSAFFXMFO-UHFFFAOYSA-N
MW345.50 g/mol
LogP4.01
Rot. Bonds12

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

6-(3,5-dimethylpyrazol-1-yl)-N-undecyl-1,2,4,5-tetrazin-3-amine (PubChem CID 142764185) has the molecular formula C18H31N7 and a molecular weight of 345.50 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-undecyl-1,2,4,5-tetrazin-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-undecyl-1,2,4,5-tetrazin-3-amine
PubChem CID142764185
Molecular FormulaC18H31N7
Molecular Weight345.50 g/mol
Exact Mass345.26
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-undecyl-1,2,4,5-tetrazin-3-amine
SMILESCCCCCCCCCCCNc1nnc(-n2nc(C)cc2C)nn1
InChIInChI=1S/C18H31N7/c1-4-5-6-7-8-9-10-11-12-13-19-17-20-22-18(23-21-17)25-16(3)14-15(2)24-25/h14H,4-13H2,1-3H3,(H,19,20,21)
InChIKeyUQXUYHSAFFXMFO-UHFFFAOYSA-N
XLogP4.01
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-undecyl-1,2,4,5-tetrazin-3-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-undecyl-1,2,4,5-tetrazin-3-amine (CID 142764185) is 6-(3,5-dimethylpyrazol-1-yl)-N-undecyl-1,2,4,5-tetrazin-3-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-undecyl-1,2,4,5-tetrazin-3-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-undecyl-1,2,4,5-tetrazin-3-amine is CCCCCCCCCCCNc1nnc(-n2nc(C)cc2C)nn1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-undecyl-1,2,4,5-tetrazin-3-amine?
The InChIKey is UQXUYHSAFFXMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N7/c1-4-5-6-7-8-9-10-11-12-13-19-17-20-22-18(23-21-17)25-16(3)14-15(2)24-25/h14H,4-13H2,1-3H3,(H,19,20,21).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-undecyl-1,2,4,5-tetrazin-3-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-undecyl-1,2,4,5-tetrazin-3-amine has a molecular weight of 345.50 g/mol, XLogP of 4.01, 12 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)-N-undecyl-1,2,4,5-tetrazin-3-amine is sourced from PubChem (CID 142764185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).