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

C16H21N5O — CID 171638960

IUPAC2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol
SMILESCCN1CCN(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C16H21N5O/c1-2-20-7-9-21(10-8-20)14-11-13(18-19-16(14)17)12-5-3-4-6-15(12)22/h3-6,11,22H,2,7-10H2,1H3,(H2,17,19)
InChIKeyROWCQUDCAGOTOO-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.57
Rot. Bonds3

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

2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol (PubChem CID 171638960) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol
PubChem CID171638960
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol
SMILESCCN1CCN(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C16H21N5O/c1-2-20-7-9-21(10-8-20)14-11-13(18-19-16(14)17)12-5-3-4-6-15(12)22/h3-6,11,22H,2,7-10H2,1H3,(H2,17,19)
InChIKeyROWCQUDCAGOTOO-UHFFFAOYSA-N
XLogP1.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 147428670
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane
CID 171638010
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone;ethane
CID 160949822
2-[6-amino-5-[4-[[4-(3-hydroxypropyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-yl]phenol
CID 146522870
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 169079538
4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylbutanamide
CID 171638706
2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol
CID 137029494
2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol
CID 137029504
2-[4-[3-amino-6-(2-hydroxy-3-methylphenyl)pyridazin-4-yl]piperazin-1-yl]acetic acid
CID 158657999
4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one
CID 137029448
2-[6-amino-5-[4-[[4-(pyrrolidin-3-ylamino)phenyl]methyl]piperazin-1-yl]pyridazin-3-yl]phenol
CID 177309439
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol
CID 162668961

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol (CID 171638960) is 2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol is CCN1CCN(c2cc(-c3ccccc3O)nnc2N)CC1.
What is the InChIKey of 2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol?
The InChIKey is ROWCQUDCAGOTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-2-20-7-9-21(10-8-20)14-11-13(18-19-16(14)17)12-5-3-4-6-15(12)22/h3-6,11,22H,2,7-10H2,1H3,(H2,17,19).
What are the key properties of 2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol?
2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol has a molecular weight of 299.38 g/mol, XLogP of 1.57, 3 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-ethylpiperazin-1-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 171638960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).