2-[6-amino-5-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol

C19H23N7O — CID 137029420

IUPAC2-[6-amino-5-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol
SMILESCn1cc(CN2CCN(c3cc(-c4ccccc4O)nnc3N)CC2)cn1
InChIInChI=1S/C19H23N7O/c1-24-12-14(11-21-24)13-25-6-8-26(9-7-25)17-10-16(22-23-19(17)20)15-4-2-3-5-18(15)27/h2-5,10-12,27H,6-9,13H2,1H3,(H2,20,23)
InChIKeyWLDXZOOYBMRQKC-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.49
Rot. Bonds4

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

2-[6-amino-5-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol (PubChem CID 137029420) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[6-amino-5-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol
PubChem CID137029420
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name2-[6-amino-5-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol
SMILESCn1cc(CN2CCN(c3cc(-c4ccccc4O)nnc3N)CC2)cn1
InChIInChI=1S/C19H23N7O/c1-24-12-14(11-21-24)13-25-6-8-26(9-7-25)17-10-16(22-23-19(17)20)15-4-2-3-5-18(15)27/h2-5,10-12,27H,6-9,13H2,1H3,(H2,20,23)
InChIKeyWLDXZOOYBMRQKC-UHFFFAOYSA-N
XLogP1.49
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol (CID 137029420) is 2-[6-amino-5-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol is Cn1cc(CN2CCN(c3cc(-c4ccccc4O)nnc3N)CC2)cn1.
What is the InChIKey of 2-[6-amino-5-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol?
The InChIKey is WLDXZOOYBMRQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-24-12-14(11-21-24)13-25-6-8-26(9-7-25)17-10-16(22-23-19(17)20)15-4-2-3-5-18(15)27/h2-5,10-12,27H,6-9,13H2,1H3,(H2,20,23).
What are the key properties of 2-[6-amino-5-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol?
2-[6-amino-5-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol has a molecular weight of 365.44 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 137029420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).