2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol

C11H14N4O — CID 116973631

IUPAC2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol
SMILESCN(CCO)c1ccc(-c2cc[nH]c2)nn1
InChIInChI=1S/C11H14N4O/c1-15(6-7-16)11-3-2-10(13-14-11)9-4-5-12-8-9/h2-5,8,12,16H,6-7H2,1H3
InChIKeyRWGCRMLAKAAESF-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.90
Rot. Bonds4

About 2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol

2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol (PubChem CID 116973631) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol
PubChem CID116973631
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol
SMILESCN(CCO)c1ccc(-c2cc[nH]c2)nn1
InChIInChI=1S/C11H14N4O/c1-15(6-7-16)11-3-2-10(13-14-11)9-4-5-12-8-9/h2-5,8,12,16H,6-7H2,1H3
InChIKeyRWGCRMLAKAAESF-UHFFFAOYSA-N
XLogP0.90
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpyridin-4-yl)-1H-pyrazol-5-amine
CID 106753125
2-[4-[[[2-(Dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 47615988
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 51104699
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine
CID 51104772
N,N,1,3-tetramethyl-4-[(1-pyridin-3-ylethylamino)methyl]pyrazol-5-amine
CID 51104773
5-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine
CID 53540192
N,N,1,3-tetramethyl-4-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]pyrazol-5-amine
CID 53546304
N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 53547176
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 53549164
N,N,1,3-tetramethyl-4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrazol-5-amine
CID 53550907
N-[(2-methyl-3-pyridinyl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 72141275
(2S)-1-[[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]propan-2-ol
CID 118741238

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol?
The IUPAC name of 2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol (CID 116973631) is 2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol?
The canonical SMILES for 2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol is CN(CCO)c1ccc(-c2cc[nH]c2)nn1.
What is the InChIKey of 2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol?
The InChIKey is RWGCRMLAKAAESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15(6-7-16)11-3-2-10(13-14-11)9-4-5-12-8-9/h2-5,8,12,16H,6-7H2,1H3.
What are the key properties of 2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol?
2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol has a molecular weight of 218.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol is sourced from PubChem (CID 116973631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).