1-(4-chlorophenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanol

C12H11ClN6O — CID 42947574

IUPAC1-(4-chlorophenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanol
SMILESOC(CNc1ccc2nnnn2n1)c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN6O/c13-9-3-1-8(2-4-9)10(20)7-14-11-5-6-12-15-17-18-19(12)16-11/h1-6,10,20H,7H2,(H,14,16)
InChIKeyYLQGOLSKKAHICK-UHFFFAOYSA-N
MW290.71 g/mol
LogP1.32
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanol

1-(4-chlorophenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanol (PubChem CID 42947574) has the molecular formula C12H11ClN6O and a molecular weight of 290.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanol
PubChem CID42947574
Molecular FormulaC12H11ClN6O
Molecular Weight290.71 g/mol
Exact Mass290.07
IUPAC Name1-(4-chlorophenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanol
SMILESOC(CNc1ccc2nnnn2n1)c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN6O/c13-9-3-1-8(2-4-9)10(20)7-14-11-5-6-12-15-17-18-19(12)16-11/h1-6,10,20H,7H2,(H,14,16)
InChIKeyYLQGOLSKKAHICK-UHFFFAOYSA-N
XLogP1.32
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxypropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 102699023
N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 113222142
(2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine
CID 25469022
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 51928967
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 51928969
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404
N-propan-2-yl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide
CID 112684377
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133295546
N-(2,2-dimethylbutyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 103462537
(1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
CID 94063941
(1S)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-chlorophenyl)ethanol
CID 52569320
(2R)-2-(furan-2-ylmethyl)-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-1-ol
CID 31659755

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanol (CID 42947574) is 1-(4-chlorophenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanol is OC(CNc1ccc2nnnn2n1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanol?
The InChIKey is YLQGOLSKKAHICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6O/c13-9-3-1-8(2-4-9)10(20)7-14-11-5-6-12-15-17-18-19(12)16-11/h1-6,10,20H,7H2,(H,14,16).
What are the key properties of 1-(4-chlorophenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanol?
1-(4-chlorophenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanol has a molecular weight of 290.71 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanol is sourced from PubChem (CID 42947574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).