1-(6-chloropyridazin-3-yl)oxy-3-(propan-2-ylamino)propan-2-ol

C10H16ClN3O2 — CID 10014778

IUPAC1-(6-chloropyridazin-3-yl)oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccc(Cl)nn1
InChIInChI=1S/C10H16ClN3O2/c1-7(2)12-5-8(15)6-16-10-4-3-9(11)13-14-10/h3-4,7-8,12,15H,5-6H2,1-2H3
InChIKeyNAZGDYNXGGZZTB-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.87
Rot. Bonds6

About 1-(6-chloropyridazin-3-yl)oxy-3-(propan-2-ylamino)propan-2-ol

1-(6-chloropyridazin-3-yl)oxy-3-(propan-2-ylamino)propan-2-ol (PubChem CID 10014778) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)oxy-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)oxy-3-(propan-2-ylamino)propan-2-ol
PubChem CID10014778
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name1-(6-chloropyridazin-3-yl)oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccc(Cl)nn1
InChIInChI=1S/C10H16ClN3O2/c1-7(2)12-5-8(15)6-16-10-4-3-9(11)13-14-10/h3-4,7-8,12,15H,5-6H2,1-2H3
InChIKeyNAZGDYNXGGZZTB-UHFFFAOYSA-N
XLogP0.87
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(propan-2-ylamino)-3-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-ol
CID 56606734
1-(6-chloropyridazin-3-yl)oxypropan-2-amine
CID 23313311
2-[3-[4-(6-chloropyridazin-3-yl)oxybutan-2-ylamino]-2-hydroxypropoxy]benzonitrile
CID 54495083
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
1-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2,5-dichlorophenoxy)propan-2-ol
CID 10047785
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
1-(3-chloro-2-methylphenoxy)-3-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol
CID 54084381
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)oxy-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(6-chloropyridazin-3-yl)oxy-3-(propan-2-ylamino)propan-2-ol (CID 10014778) is 1-(6-chloropyridazin-3-yl)oxy-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)oxy-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)oxy-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COc1ccc(Cl)nn1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)oxy-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is NAZGDYNXGGZZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-7(2)12-5-8(15)6-16-10-4-3-9(11)13-14-10/h3-4,7-8,12,15H,5-6H2,1-2H3.
What are the key properties of 1-(6-chloropyridazin-3-yl)oxy-3-(propan-2-ylamino)propan-2-ol?
1-(6-chloropyridazin-3-yl)oxy-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 245.71 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)oxy-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 10014778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).