[6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridazin-3-yl]methanol

C12H21N3O3 — CID 55005192

IUPAC[6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridazin-3-yl]methanol
SMILESCOCCN(c1ccc(CO)nn1)C(C)COC
InChIInChI=1S/C12H21N3O3/c1-10(9-18-3)15(6-7-17-2)12-5-4-11(8-16)13-14-12/h4-5,10,16H,6-9H2,1-3H3
InChIKeyQQEUAZDXAZLXKS-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.46
Rot. Bonds8

About [6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridazin-3-yl]methanol

[6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridazin-3-yl]methanol (PubChem CID 55005192) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is [6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridazin-3-yl]methanol
PubChem CID55005192
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name[6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridazin-3-yl]methanol
SMILESCOCCN(c1ccc(CO)nn1)C(C)COC
InChIInChI=1S/C12H21N3O3/c1-10(9-18-3)15(6-7-17-2)12-5-4-11(8-16)13-14-12/h4-5,10,16H,6-9H2,1-3H3
InChIKeyQQEUAZDXAZLXKS-UHFFFAOYSA-N
XLogP0.46
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridazin-3-yl]methanol?
The IUPAC name of [6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridazin-3-yl]methanol (CID 55005192) is [6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridazin-3-yl]methanol.
What is the SMILES notation for [6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridazin-3-yl]methanol?
The canonical SMILES for [6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridazin-3-yl]methanol is COCCN(c1ccc(CO)nn1)C(C)COC.
What is the InChIKey of [6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridazin-3-yl]methanol?
The InChIKey is QQEUAZDXAZLXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-10(9-18-3)15(6-7-17-2)12-5-4-11(8-16)13-14-12/h4-5,10,16H,6-9H2,1-3H3.
What are the key properties of [6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridazin-3-yl]methanol?
[6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridazin-3-yl]methanol has a molecular weight of 255.32 g/mol, XLogP of 0.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridazin-3-yl]methanol is sourced from PubChem (CID 55005192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).