2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol

C11H17ClN4O — CID 106621253

IUPAC2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESOCCN(CC1CCCN1)c1ccc(Cl)nn1
InChIInChI=1S/C11H17ClN4O/c12-10-3-4-11(15-14-10)16(6-7-17)8-9-2-1-5-13-9/h3-4,9,13,17H,1-2,5-8H2
InChIKeyPDXNDPDMGIJJEU-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.68
Rot. Bonds5

About 2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol

2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106621253) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106621253
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESOCCN(CC1CCCN1)c1ccc(Cl)nn1
InChIInChI=1S/C11H17ClN4O/c12-10-3-4-11(15-14-10)16(6-7-17)8-9-2-1-5-13-9/h3-4,9,13,17H,1-2,5-8H2
InChIKeyPDXNDPDMGIJJEU-UHFFFAOYSA-N
XLogP0.68
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide
CID 106621384
6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide
CID 106621411
2-[(5-methyl-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621156
2-[(5-methylpyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621130
6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide
CID 106620429
3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 107061419
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621436
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106621325
6-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide
CID 106620446
2-[4-chloro-2-nitro-N-(pyrrolidin-2-ylmethyl)anilino]ethanol
CID 106621289
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621336
2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
CID 106621340

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106621253) is 2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol is OCCN(CC1CCCN1)c1ccc(Cl)nn1.
What is the InChIKey of 2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is PDXNDPDMGIJJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c12-10-3-4-11(15-14-10)16(6-7-17)8-9-2-1-5-13-9/h3-4,9,13,17H,1-2,5-8H2.
What are the key properties of 2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 256.74 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106621253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).