2-pyridazin-3-yl-6-(2H-triazol-4-yl)pyrazine

C10H7N7 — CID 123748173

IUPAC2-pyridazin-3-yl-6-(2H-triazol-4-yl)pyrazine
SMILESc1cnnc(-c2cncc(-c3cn[nH]n3)n2)c1
InChIInChI=1S/C10H7N7/c1-2-7(15-12-3-1)8-4-11-5-9(14-8)10-6-13-17-16-10/h1-6H,(H,13,16,17)
InChIKeyXDFZMQCCUSFGJD-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.72
Rot. Bonds2

About 2-pyridazin-3-yl-6-(2H-triazol-4-yl)pyrazine

2-pyridazin-3-yl-6-(2H-triazol-4-yl)pyrazine (PubChem CID 123748173) has the molecular formula C10H7N7 and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-pyridazin-3-yl-6-(2H-triazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-pyridazin-3-yl-6-(2H-triazol-4-yl)pyrazine
PubChem CID123748173
Molecular FormulaC10H7N7
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name2-pyridazin-3-yl-6-(2H-triazol-4-yl)pyrazine
SMILESc1cnnc(-c2cncc(-c3cn[nH]n3)n2)c1
InChIInChI=1S/C10H7N7/c1-2-7(15-12-3-1)8-4-11-5-9(14-8)10-6-13-17-16-10/h1-6H,(H,13,16,17)
InChIKeyXDFZMQCCUSFGJD-UHFFFAOYSA-N
XLogP0.72
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-yl-6-(2H-triazol-4-yl)pyrazine?
The IUPAC name of 2-pyridazin-3-yl-6-(2H-triazol-4-yl)pyrazine (CID 123748173) is 2-pyridazin-3-yl-6-(2H-triazol-4-yl)pyrazine.
What is the SMILES notation for 2-pyridazin-3-yl-6-(2H-triazol-4-yl)pyrazine?
The canonical SMILES for 2-pyridazin-3-yl-6-(2H-triazol-4-yl)pyrazine is c1cnnc(-c2cncc(-c3cn[nH]n3)n2)c1.
What is the InChIKey of 2-pyridazin-3-yl-6-(2H-triazol-4-yl)pyrazine?
The InChIKey is XDFZMQCCUSFGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N7/c1-2-7(15-12-3-1)8-4-11-5-9(14-8)10-6-13-17-16-10/h1-6H,(H,13,16,17).
What are the key properties of 2-pyridazin-3-yl-6-(2H-triazol-4-yl)pyrazine?
2-pyridazin-3-yl-6-(2H-triazol-4-yl)pyrazine has a molecular weight of 225.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-yl-6-(2H-triazol-4-yl)pyrazine is sourced from PubChem (CID 123748173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).