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

C14H15N7 — CID 1208027

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-1,2,4,5-tetrazin-3-amine
SMILESCc1ccc(Nc2nnc(-n3nc(C)cc3C)nn2)cc1
InChIInChI=1S/C14H15N7/c1-9-4-6-12(7-5-9)15-13-16-18-14(19-17-13)21-11(3)8-10(2)20-21/h4-8H,1-3H3,(H,15,16,17)
InChIKeyJPWKUXSIWNAQBY-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.12
Rot. Bonds3

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

6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-1,2,4,5-tetrazin-3-amine (PubChem CID 1208027) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-1,2,4,5-tetrazin-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-1,2,4,5-tetrazin-3-amine
PubChem CID1208027
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-1,2,4,5-tetrazin-3-amine
SMILESCc1ccc(Nc2nnc(-n3nc(C)cc3C)nn2)cc1
InChIInChI=1S/C14H15N7/c1-9-4-6-12(7-5-9)15-13-16-18-14(19-17-13)21-11(3)8-10(2)20-21/h4-8H,1-3H3,(H,15,16,17)
InChIKeyJPWKUXSIWNAQBY-UHFFFAOYSA-N
XLogP2.12
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(4-methylphenyl)-1,2,4,5-tetrazin-3-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-1,2,4,5-tetrazin-3-amine (CID 1208027) is 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-1,2,4,5-tetrazin-3-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-1,2,4,5-tetrazin-3-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-1,2,4,5-tetrazin-3-amine is Cc1ccc(Nc2nnc(-n3nc(C)cc3C)nn2)cc1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-1,2,4,5-tetrazin-3-amine?
The InChIKey is JPWKUXSIWNAQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7/c1-9-4-6-12(7-5-9)15-13-16-18-14(19-17-13)21-11(3)8-10(2)20-21/h4-8H,1-3H3,(H,15,16,17).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-1,2,4,5-tetrazin-3-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-1,2,4,5-tetrazin-3-amine has a molecular weight of 281.32 g/mol, XLogP of 2.12, 3 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-(4-methylphenyl)-1,2,4,5-tetrazin-3-amine is sourced from PubChem (CID 1208027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).