1-(6-amino-5-methylpyridazin-3-yl)-2-(tert-butylamino)ethanol

C11H20N4O — CID 155461850

IUPAC1-(6-amino-5-methylpyridazin-3-yl)-2-(tert-butylamino)ethanol
SMILESCc1cc(C(O)CNC(C)(C)C)nnc1N
InChIInChI=1S/C11H20N4O/c1-7-5-8(14-15-10(7)12)9(16)6-13-11(2,3)4/h5,9,13,16H,6H2,1-4H3,(H2,12,15)
InChIKeyJZDRWQWPLCQKOU-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.79
Rot. Bonds3

About 1-(6-amino-5-methylpyridazin-3-yl)-2-(tert-butylamino)ethanol

1-(6-amino-5-methylpyridazin-3-yl)-2-(tert-butylamino)ethanol (PubChem CID 155461850) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-(6-amino-5-methylpyridazin-3-yl)-2-(tert-butylamino)ethanol.

Molecular Properties

Compound Name1-(6-amino-5-methylpyridazin-3-yl)-2-(tert-butylamino)ethanol
PubChem CID155461850
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-(6-amino-5-methylpyridazin-3-yl)-2-(tert-butylamino)ethanol
SMILESCc1cc(C(O)CNC(C)(C)C)nnc1N
InChIInChI=1S/C11H20N4O/c1-7-5-8(14-15-10(7)12)9(16)6-13-11(2,3)4/h5,9,13,16H,6H2,1-4H3,(H2,12,15)
InChIKeyJZDRWQWPLCQKOU-UHFFFAOYSA-N
XLogP0.79
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[6-(ethenylamino)-4-methylpyridazin-3-yl]propan-1-ol
CID 135190050
(1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(tert-butylamino)ethanol
CID 155461851
tert-butyl N-[6-[2-(tert-butylamino)-1-hydroxyethyl]-4-methylpyridazin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 155461882
(1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(propan-2-ylamino)ethanol
CID 167168902
1-(6-Amino-5-methylpyridazin-3-yl)-4,4-dimethylpentan-1-ol
CID 167537052
(1S)-1-(6-aminopyridazin-3-yl)-2-(tert-butylamino)ethanol
CID 168167444
2-(6-Amino-4-methylpyridazin-3-yl)propan-2-ol
CID 170631168
(1R)-1-(6-aminopyridazin-3-yl)-2-(tert-butylamino)ethanol
CID 172113654
[6-[(3-Methyl-2-propan-2-ylbutyl)amino]pyridazin-3-yl]methanol
CID 102915160
[6-(2-Ethylbutylamino)pyridazin-3-yl]methanol
CID 116374680
1-[[6-(Hydroxymethyl)pyridazin-3-yl]amino]propan-2-ol
CID 130660426
N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]acetamide
CID 170829575

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-methylpyridazin-3-yl)-2-(tert-butylamino)ethanol?
The IUPAC name of 1-(6-amino-5-methylpyridazin-3-yl)-2-(tert-butylamino)ethanol (CID 155461850) is 1-(6-amino-5-methylpyridazin-3-yl)-2-(tert-butylamino)ethanol.
What is the SMILES notation for 1-(6-amino-5-methylpyridazin-3-yl)-2-(tert-butylamino)ethanol?
The canonical SMILES for 1-(6-amino-5-methylpyridazin-3-yl)-2-(tert-butylamino)ethanol is Cc1cc(C(O)CNC(C)(C)C)nnc1N.
What is the InChIKey of 1-(6-amino-5-methylpyridazin-3-yl)-2-(tert-butylamino)ethanol?
The InChIKey is JZDRWQWPLCQKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7-5-8(14-15-10(7)12)9(16)6-13-11(2,3)4/h5,9,13,16H,6H2,1-4H3,(H2,12,15).
What are the key properties of 1-(6-amino-5-methylpyridazin-3-yl)-2-(tert-butylamino)ethanol?
1-(6-amino-5-methylpyridazin-3-yl)-2-(tert-butylamino)ethanol has a molecular weight of 224.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-methylpyridazin-3-yl)-2-(tert-butylamino)ethanol is sourced from PubChem (CID 155461850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).