6-(4-imidazol-1-ylphenyl)-N-(6-methyl-1H-indazol-5-yl)-2,4-dihydro-1H-pyridazin-3-imine

C21H19N7 — CID 170233644

IUPAC6-(4-imidazol-1-ylphenyl)-N-(6-methyl-1H-indazol-5-yl)-2,4-dihydro-1H-pyridazin-3-imine
SMILESCc1cc2[nH]ncc2cc1/N=C1/CC=C(c2ccc(-n3ccnc3)cc2)NN1
InChIInChI=1S/C21H19N7/c1-14-10-20-16(12-23-25-20)11-19(14)24-21-7-6-18(26-27-21)15-2-4-17(5-3-15)28-9-8-22-13-28/h2-6,8-13,26H,7H2,1H3,(H,23,25)(H,24,27)
InChIKeyQBEKNASMKZASLN-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.63
Rot. Bonds3

About 6-(4-imidazol-1-ylphenyl)-N-(6-methyl-1H-indazol-5-yl)-2,4-dihydro-1H-pyridazin-3-imine

6-(4-imidazol-1-ylphenyl)-N-(6-methyl-1H-indazol-5-yl)-2,4-dihydro-1H-pyridazin-3-imine (PubChem CID 170233644) has the molecular formula C21H19N7 and a molecular weight of 369.43 g/mol. Its IUPAC name is 6-(4-imidazol-1-ylphenyl)-N-(6-methyl-1H-indazol-5-yl)-2,4-dihydro-1H-pyridazin-3-imine.

Molecular Properties

Compound Name6-(4-imidazol-1-ylphenyl)-N-(6-methyl-1H-indazol-5-yl)-2,4-dihydro-1H-pyridazin-3-imine
PubChem CID170233644
Molecular FormulaC21H19N7
Molecular Weight369.43 g/mol
Exact Mass369.17
IUPAC Name6-(4-imidazol-1-ylphenyl)-N-(6-methyl-1H-indazol-5-yl)-2,4-dihydro-1H-pyridazin-3-imine
SMILESCc1cc2[nH]ncc2cc1/N=C1/CC=C(c2ccc(-n3ccnc3)cc2)NN1
InChIInChI=1S/C21H19N7/c1-14-10-20-16(12-23-25-20)11-19(14)24-21-7-6-18(26-27-21)15-2-4-17(5-3-15)28-9-8-22-13-28/h2-6,8-13,26H,7H2,1H3,(H,23,25)(H,24,27)
InChIKeyQBEKNASMKZASLN-UHFFFAOYSA-N
XLogP3.63
TPSA82.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-imidazol-1-ylphenyl)-N-(6-methyl-1H-indazol-5-yl)-2,4-dihydro-1H-pyridazin-3-imine?
The IUPAC name of 6-(4-imidazol-1-ylphenyl)-N-(6-methyl-1H-indazol-5-yl)-2,4-dihydro-1H-pyridazin-3-imine (CID 170233644) is 6-(4-imidazol-1-ylphenyl)-N-(6-methyl-1H-indazol-5-yl)-2,4-dihydro-1H-pyridazin-3-imine.
What is the SMILES notation for 6-(4-imidazol-1-ylphenyl)-N-(6-methyl-1H-indazol-5-yl)-2,4-dihydro-1H-pyridazin-3-imine?
The canonical SMILES for 6-(4-imidazol-1-ylphenyl)-N-(6-methyl-1H-indazol-5-yl)-2,4-dihydro-1H-pyridazin-3-imine is Cc1cc2[nH]ncc2cc1/N=C1/CC=C(c2ccc(-n3ccnc3)cc2)NN1.
What is the InChIKey of 6-(4-imidazol-1-ylphenyl)-N-(6-methyl-1H-indazol-5-yl)-2,4-dihydro-1H-pyridazin-3-imine?
The InChIKey is QBEKNASMKZASLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7/c1-14-10-20-16(12-23-25-20)11-19(14)24-21-7-6-18(26-27-21)15-2-4-17(5-3-15)28-9-8-22-13-28/h2-6,8-13,26H,7H2,1H3,(H,23,25)(H,24,27).
What are the key properties of 6-(4-imidazol-1-ylphenyl)-N-(6-methyl-1H-indazol-5-yl)-2,4-dihydro-1H-pyridazin-3-imine?
6-(4-imidazol-1-ylphenyl)-N-(6-methyl-1H-indazol-5-yl)-2,4-dihydro-1H-pyridazin-3-imine has a molecular weight of 369.43 g/mol, XLogP of 3.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-imidazol-1-ylphenyl)-N-(6-methyl-1H-indazol-5-yl)-2,4-dihydro-1H-pyridazin-3-imine is sourced from PubChem (CID 170233644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).