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

C19H31N5O — CID 171638010

IUPAC2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane
SMILESCC.CC.CN1CCN(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C15H19N5O.2C2H6/c1-19-6-8-20(9-7-19)13-10-12(17-18-15(13)16)11-4-2-3-5-14(11)21;2*1-2/h2-5,10,21H,6-9H2,1H3,(H2,16,18);2*1-2H3
InChIKeyLPSHMJUHSGVPQL-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.24
Rot. Bonds2

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

2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane (PubChem CID 171638010) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane.

Molecular Properties

Compound Name2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane
PubChem CID171638010
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane
SMILESCC.CC.CN1CCN(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C15H19N5O.2C2H6/c1-19-6-8-20(9-7-19)13-10-12(17-18-15(13)16)11-4-2-3-5-14(11)21;2*1-2/h2-5,10,21H,6-9H2,1H3,(H2,16,18);2*1-2H3
InChIKeyLPSHMJUHSGVPQL-UHFFFAOYSA-N
XLogP3.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.24
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
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone;ethane
CID 160949822
2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 171638960
2-[6-amino-5-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenol
CID 152825660
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]benzaldehyde
CID 155390949
2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol
CID 137029504
2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol
CID 137029494
4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one
CID 137029448
4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylbutanamide
CID 171638706
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol
CID 162668961
2-[6-amino-5-[4-[[4-(3-hydroxypropyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-yl]phenol
CID 146522870

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane?
The IUPAC name of 2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane (CID 171638010) is 2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane.
What is the SMILES notation for 2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane?
The canonical SMILES for 2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane is CC.CC.CN1CCN(c2cc(-c3ccccc3O)nnc2N)CC1.
What is the InChIKey of 2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane?
The InChIKey is LPSHMJUHSGVPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.2C2H6/c1-19-6-8-20(9-7-19)13-10-12(17-18-15(13)16)11-4-2-3-5-14(11)21;2*1-2/h2-5,10,21H,6-9H2,1H3,(H2,16,18);2*1-2H3.
What are the key properties of 2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane?
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane has a molecular weight of 345.49 g/mol, XLogP of 3.24, 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;ethane is sourced from PubChem (CID 171638010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).