2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol

C15H19N5O — CID 147428670

IUPAC2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol
SMILESCN1CCN(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C15H19N5O/c1-19-6-8-20(9-7-19)13-10-12(17-18-15(13)16)11-4-2-3-5-14(11)21/h2-5,10,21H,6-9H2,1H3,(H2,16,18)
InChIKeyDTWUGRQTIJBDGY-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.18
Rot. Bonds2

About 2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol

2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol (PubChem CID 147428670) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol
PubChem CID147428670
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol
SMILESCN1CCN(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C15H19N5O/c1-19-6-8-20(9-7-19)13-10-12(17-18-15(13)16)11-4-2-3-5-14(11)21/h2-5,10,21H,6-9H2,1H3,(H2,16,18)
InChIKeyDTWUGRQTIJBDGY-UHFFFAOYSA-N
XLogP1.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol (CID 147428670) is 2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol is CN1CCN(c2cc(-c3ccccc3O)nnc2N)CC1.
What is the InChIKey of 2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol?
The InChIKey is DTWUGRQTIJBDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-19-6-8-20(9-7-19)13-10-12(17-18-15(13)16)11-4-2-3-5-14(11)21/h2-5,10,21H,6-9H2,1H3,(H2,16,18).
What are the key properties of 2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol?
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol has a molecular weight of 285.35 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 147428670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).