2-[(5-methylpyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol

C12H20N4O — CID 106621130

IUPAC2-[(5-methylpyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCc1cnnc(N(CCO)CC2CCCN2)c1
InChIInChI=1S/C12H20N4O/c1-10-7-12(15-14-8-10)16(5-6-17)9-11-3-2-4-13-11/h7-8,11,13,17H,2-6,9H2,1H3
InChIKeyWPMWDBSZJUPSIR-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.34
Rot. Bonds5

About 2-[(5-methylpyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol

2-[(5-methylpyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106621130) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(5-methylpyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-methylpyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106621130
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(5-methylpyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCc1cnnc(N(CCO)CC2CCCN2)c1
InChIInChI=1S/C12H20N4O/c1-10-7-12(15-14-8-10)16(5-6-17)9-11-3-2-4-13-11/h7-8,11,13,17H,2-6,9H2,1H3
InChIKeyWPMWDBSZJUPSIR-UHFFFAOYSA-N
XLogP0.34
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methyl-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621156
2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621253
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-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621171
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621336
2-[(1-methylimidazol-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621365
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridazin-3-amine
CID 106619840
5,6-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106619724
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621453
2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol
CID 106621339
N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612681

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(5-methylpyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106621130) is 2-[(5-methylpyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-methylpyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(5-methylpyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol is Cc1cnnc(N(CCO)CC2CCCN2)c1.
What is the InChIKey of 2-[(5-methylpyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is WPMWDBSZJUPSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10-7-12(15-14-8-10)16(5-6-17)9-11-3-2-4-13-11/h7-8,11,13,17H,2-6,9H2,1H3.
What are the key properties of 2-[(5-methylpyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[(5-methylpyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 236.32 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106621130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).