(1S)-1-(6-amino-5-chloropyridazin-3-yl)-4,4-dimethylpentan-1-ol

C11H18ClN3O — CID 167668034

IUPAC(1S)-1-(6-amino-5-chloropyridazin-3-yl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CC[C@H](O)c1cc(Cl)c(N)nn1
InChIInChI=1S/C11H18ClN3O/c1-11(2,3)5-4-9(16)8-6-7(12)10(13)15-14-8/h6,9,16H,4-5H2,1-3H3,(H2,13,15)/t9-/m0/s1
InChIKeySXONUOUXXAMXIF-VIFPVBQESA-N
MW243.74 g/mol
LogP2.57
Rot. Bonds3

About (1S)-1-(6-amino-5-chloropyridazin-3-yl)-4,4-dimethylpentan-1-ol

(1S)-1-(6-amino-5-chloropyridazin-3-yl)-4,4-dimethylpentan-1-ol (PubChem CID 167668034) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is (1S)-1-(6-amino-5-chloropyridazin-3-yl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name(1S)-1-(6-amino-5-chloropyridazin-3-yl)-4,4-dimethylpentan-1-ol
PubChem CID167668034
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name(1S)-1-(6-amino-5-chloropyridazin-3-yl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CC[C@H](O)c1cc(Cl)c(N)nn1
InChIInChI=1S/C11H18ClN3O/c1-11(2,3)5-4-9(16)8-6-7(12)10(13)15-14-8/h6,9,16H,4-5H2,1-3H3,(H2,13,15)/t9-/m0/s1
InChIKeySXONUOUXXAMXIF-VIFPVBQESA-N
XLogP2.57
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(tert-butylamino)ethanol
CID 155461851
1-(6-Chloro-5-methylpyridazin-3-yl)ethanol
CID 162520174
1-(6-Chloro-4-methyl-pyridazin-3-yl)ethanol
CID 162520429
(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
(6-Amino-5-chloropyridazin-3-yl)methanol
CID 117104935
1-(6-Aminopyridazin-3-yl)-4-chlorobutane-1,2-diol
CID 171893317

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-amino-5-chloropyridazin-3-yl)-4,4-dimethylpentan-1-ol?
The IUPAC name of (1S)-1-(6-amino-5-chloropyridazin-3-yl)-4,4-dimethylpentan-1-ol (CID 167668034) is (1S)-1-(6-amino-5-chloropyridazin-3-yl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for (1S)-1-(6-amino-5-chloropyridazin-3-yl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for (1S)-1-(6-amino-5-chloropyridazin-3-yl)-4,4-dimethylpentan-1-ol is CC(C)(C)CC[C@H](O)c1cc(Cl)c(N)nn1.
What is the InChIKey of (1S)-1-(6-amino-5-chloropyridazin-3-yl)-4,4-dimethylpentan-1-ol?
The InChIKey is SXONUOUXXAMXIF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-11(2,3)5-4-9(16)8-6-7(12)10(13)15-14-8/h6,9,16H,4-5H2,1-3H3,(H2,13,15)/t9-/m0/s1.
What are the key properties of (1S)-1-(6-amino-5-chloropyridazin-3-yl)-4,4-dimethylpentan-1-ol?
(1S)-1-(6-amino-5-chloropyridazin-3-yl)-4,4-dimethylpentan-1-ol has a molecular weight of 243.74 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-amino-5-chloropyridazin-3-yl)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 167668034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).