2-[6-(methylamino)pyridazin-3-yl]-5-(1-methylimidazol-4-yl)phenol

C15H15N5O — CID 136626062

IUPAC2-[6-(methylamino)pyridazin-3-yl]-5-(1-methylimidazol-4-yl)phenol
SMILESCNc1ccc(-c2ccc(-c3cn(C)cn3)cc2O)nn1
InChIInChI=1S/C15H15N5O/c1-16-15-6-5-12(18-19-15)11-4-3-10(7-14(11)21)13-8-20(2)9-17-13/h3-9,21H,1-2H3,(H,16,19)
InChIKeyXOORDSHKGCBHPL-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.29
Rot. Bonds3

About 2-[6-(methylamino)pyridazin-3-yl]-5-(1-methylimidazol-4-yl)phenol

2-[6-(methylamino)pyridazin-3-yl]-5-(1-methylimidazol-4-yl)phenol (PubChem CID 136626062) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[6-(methylamino)pyridazin-3-yl]-5-(1-methylimidazol-4-yl)phenol.

Molecular Properties

Compound Name2-[6-(methylamino)pyridazin-3-yl]-5-(1-methylimidazol-4-yl)phenol
PubChem CID136626062
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-[6-(methylamino)pyridazin-3-yl]-5-(1-methylimidazol-4-yl)phenol
SMILESCNc1ccc(-c2ccc(-c3cn(C)cn3)cc2O)nn1
InChIInChI=1S/C15H15N5O/c1-16-15-6-5-12(18-19-15)11-4-3-10(7-14(11)21)13-8-20(2)9-17-13/h3-9,21H,1-2H3,(H,16,19)
InChIKeyXOORDSHKGCBHPL-UHFFFAOYSA-N
XLogP2.29
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-5-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 9794758
2-Methyl-5-(5-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 9859850
2-Methyl-5-(6-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 10131256
5-(5,6-Dimethyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-2-methyl-phenol
CID 10199254
3-[6-[(4-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 44530402
3-[6-(Propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 57418692
4-[6-[(4-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135961524
US11208399, Example 43
CID 155284538
2-[3-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 155772509
5-(2-methylimidazo[1,2-a]pyrazin-6-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol
CID 156887391
2-[3-[(3S)-3-cyclopropylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(5-fluoro-1H-pyrazol-4-yl)phenol
CID 156887462
2-[3-[(3S)-3-cyclopropylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazolo[4,5-b]pyridin-6-yl)phenol
CID 156887473

Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylamino)pyridazin-3-yl]-5-(1-methylimidazol-4-yl)phenol?
The IUPAC name of 2-[6-(methylamino)pyridazin-3-yl]-5-(1-methylimidazol-4-yl)phenol (CID 136626062) is 2-[6-(methylamino)pyridazin-3-yl]-5-(1-methylimidazol-4-yl)phenol.
What is the SMILES notation for 2-[6-(methylamino)pyridazin-3-yl]-5-(1-methylimidazol-4-yl)phenol?
The canonical SMILES for 2-[6-(methylamino)pyridazin-3-yl]-5-(1-methylimidazol-4-yl)phenol is CNc1ccc(-c2ccc(-c3cn(C)cn3)cc2O)nn1.
What is the InChIKey of 2-[6-(methylamino)pyridazin-3-yl]-5-(1-methylimidazol-4-yl)phenol?
The InChIKey is XOORDSHKGCBHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-16-15-6-5-12(18-19-15)11-4-3-10(7-14(11)21)13-8-20(2)9-17-13/h3-9,21H,1-2H3,(H,16,19).
What are the key properties of 2-[6-(methylamino)pyridazin-3-yl]-5-(1-methylimidazol-4-yl)phenol?
2-[6-(methylamino)pyridazin-3-yl]-5-(1-methylimidazol-4-yl)phenol has a molecular weight of 281.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylamino)pyridazin-3-yl]-5-(1-methylimidazol-4-yl)phenol is sourced from PubChem (CID 136626062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).