2-[3-[(6-chloro-4-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol

C12H19ClN4O — CID 155284658

IUPAC2-[3-[(6-chloro-4-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol
SMILESCc1cc(Cl)nnc1NC1CCCN(CCO)C1
InChIInChI=1S/C12H19ClN4O/c1-9-7-11(13)15-16-12(9)14-10-3-2-4-17(8-10)5-6-18/h7,10,18H,2-6,8H2,1H3,(H,14,16)
InChIKeyQGALYFBANQYRJZ-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.31
Rot. Bonds4

About 2-[3-[(6-chloro-4-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol

2-[3-[(6-chloro-4-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol (PubChem CID 155284658) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[3-[(6-chloro-4-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(6-chloro-4-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol
PubChem CID155284658
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-[3-[(6-chloro-4-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol
SMILESCc1cc(Cl)nnc1NC1CCCN(CCO)C1
InChIInChI=1S/C12H19ClN4O/c1-9-7-11(13)15-16-12(9)14-10-3-2-4-17(8-10)5-6-18/h7,10,18H,2-6,8H2,1H3,(H,14,16)
InChIKeyQGALYFBANQYRJZ-UHFFFAOYSA-N
XLogP1.31
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-Chloro-5-methylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 44427085
6-chloro-N-(2-morpholin-4-ylethyl)pyridazin-3-amine
CID 9179274
6-chloro-N-[(3R)-1-methylpiperidin-3-yl]-5-(trifluoromethyl)pyridazin-3-amine
CID 155284590
6-chloro-N-(1-methylpiperidin-3-yl)-5-(trifluoromethyl)pyridazin-3-amine
CID 155284592
6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)pyridazin-3-amine
CID 155284791
6-chloro-N-[(3S,5R)-5-fluoro-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 155284792
6-chloro-N-[(3R)-1-methylpiperidin-3-yl]-4-(trifluoromethyl)pyridazin-3-amine
CID 155284793
6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridazin-3-amine
CID 155284794
6-chloro-5-(difluoromethyl)-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 171545209
6-chloro-5-(difluoromethyl)-N-[(3R)-piperidin-3-yl]pyridazin-3-amine
CID 171545223
2-[(3R)-3-[[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]ethanol
CID 171545226
6-chloro-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridazin-3-amine
CID 171545251

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-chloro-4-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-[(6-chloro-4-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol (CID 155284658) is 2-[3-[(6-chloro-4-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[(6-chloro-4-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[(6-chloro-4-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol is Cc1cc(Cl)nnc1NC1CCCN(CCO)C1.
What is the InChIKey of 2-[3-[(6-chloro-4-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol?
The InChIKey is QGALYFBANQYRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-9-7-11(13)15-16-12(9)14-10-3-2-4-17(8-10)5-6-18/h7,10,18H,2-6,8H2,1H3,(H,14,16).
What are the key properties of 2-[3-[(6-chloro-4-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol?
2-[3-[(6-chloro-4-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol has a molecular weight of 270.76 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-chloro-4-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol is sourced from PubChem (CID 155284658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).