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

C10H17ClN4O — CID 155461851

IUPAC(1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(tert-butylamino)ethanol
SMILESCC(C)(C)NC[C@H](O)c1cc(Cl)c(N)nn1
InChIInChI=1S/C10H17ClN4O/c1-10(2,3)13-5-8(16)7-4-6(11)9(12)15-14-7/h4,8,13,16H,5H2,1-3H3,(H2,12,15)/t8-/m0/s1
InChIKeyVEELZCUJSZVGJY-QMMMGPOBSA-N
MW244.73 g/mol
LogP1.13
Rot. Bonds3

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

(1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(tert-butylamino)ethanol (PubChem CID 155461851) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is (1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(tert-butylamino)ethanol.

Molecular Properties

Compound Name(1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(tert-butylamino)ethanol
PubChem CID155461851
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name(1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(tert-butylamino)ethanol
SMILESCC(C)(C)NC[C@H](O)c1cc(Cl)c(N)nn1
InChIInChI=1S/C10H17ClN4O/c1-10(2,3)13-5-8(16)7-4-6(11)9(12)15-14-7/h4,8,13,16H,5H2,1-3H3,(H2,12,15)/t8-/m0/s1
InChIKeyVEELZCUJSZVGJY-QMMMGPOBSA-N
XLogP1.13
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-Amino-5-methylpyridazin-3-yl)-2-(tert-butylamino)ethanol
CID 155461850
(1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(propan-2-ylamino)ethanol
CID 167168902
(1S)-1-(6-amino-5-chloropyridazin-3-yl)-4,4-dimethylpentan-1-ol
CID 167668034
(1S)-1-(6-aminopyridazin-3-yl)-2-(tert-butylamino)ethanol
CID 168167444
(1R)-1-(6-aminopyridazin-3-yl)-2-(tert-butylamino)ethanol
CID 172113654
(6-Amino-5-chloropyridazin-3-yl)methanol
CID 117104935
1-(6-Aminopyridazin-3-yl)-3-(methylamino)propane-1,2-diol
CID 171857483
1-(6-Chloropyridazin-3-yl)-3-(methylamino)propane-1,2-diol
CID 171858988

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(tert-butylamino)ethanol?
The IUPAC name of (1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(tert-butylamino)ethanol (CID 155461851) is (1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(tert-butylamino)ethanol.
What is the SMILES notation for (1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(tert-butylamino)ethanol?
The canonical SMILES for (1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(tert-butylamino)ethanol is CC(C)(C)NC[C@H](O)c1cc(Cl)c(N)nn1.
What is the InChIKey of (1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(tert-butylamino)ethanol?
The InChIKey is VEELZCUJSZVGJY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-10(2,3)13-5-8(16)7-4-6(11)9(12)15-14-7/h4,8,13,16H,5H2,1-3H3,(H2,12,15)/t8-/m0/s1.
What are the key properties of (1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(tert-butylamino)ethanol?
(1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(tert-butylamino)ethanol has a molecular weight of 244.73 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(tert-butylamino)ethanol is sourced from PubChem (CID 155461851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).