6-imidazol-1-yl-N-phenylpyridazin-3-amine

C13H11N5 — CID 2981107

IUPAC6-imidazol-1-yl-N-phenylpyridazin-3-amine
SMILESc1ccc(Nc2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C13H11N5/c1-2-4-11(5-3-1)15-12-6-7-13(17-16-12)18-9-8-14-10-18/h1-10H,(H,15,16)
InChIKeyFJHISDRNODLIQF-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.41
Rot. Bonds3

About 6-imidazol-1-yl-N-phenylpyridazin-3-amine

6-imidazol-1-yl-N-phenylpyridazin-3-amine (PubChem CID 2981107) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-phenylpyridazin-3-amine.

Molecular Properties

Compound Name6-imidazol-1-yl-N-phenylpyridazin-3-amine
PubChem CID2981107
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name6-imidazol-1-yl-N-phenylpyridazin-3-amine
SMILESc1ccc(Nc2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C13H11N5/c1-2-4-11(5-3-1)15-12-6-7-13(17-16-12)18-9-8-14-10-18/h1-10H,(H,15,16)
InChIKeyFJHISDRNODLIQF-UHFFFAOYSA-N
XLogP2.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-phenylpyridazin-3-amine?
The IUPAC name of 6-imidazol-1-yl-N-phenylpyridazin-3-amine (CID 2981107) is 6-imidazol-1-yl-N-phenylpyridazin-3-amine.
What is the SMILES notation for 6-imidazol-1-yl-N-phenylpyridazin-3-amine?
The canonical SMILES for 6-imidazol-1-yl-N-phenylpyridazin-3-amine is c1ccc(Nc2ccc(-n3ccnc3)nn2)cc1.
What is the InChIKey of 6-imidazol-1-yl-N-phenylpyridazin-3-amine?
The InChIKey is FJHISDRNODLIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c1-2-4-11(5-3-1)15-12-6-7-13(17-16-12)18-9-8-14-10-18/h1-10H,(H,15,16).
What are the key properties of 6-imidazol-1-yl-N-phenylpyridazin-3-amine?
6-imidazol-1-yl-N-phenylpyridazin-3-amine has a molecular weight of 237.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-phenylpyridazin-3-amine is sourced from PubChem (CID 2981107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).