4-[2-[(6-chloropyridazin-3-yl)amino]ethyl]phenol

C12H12ClN3O — CID 61236927

IUPAC4-[2-[(6-chloropyridazin-3-yl)amino]ethyl]phenol
SMILESOc1ccc(CCNc2ccc(Cl)nn2)cc1
InChIInChI=1S/C12H12ClN3O/c13-11-5-6-12(16-15-11)14-8-7-9-1-3-10(17)4-2-9/h1-6,17H,7-8H2,(H,14,16)
InChIKeyQUEHFCKMQUYPNL-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.49
Rot. Bonds4

About 4-[2-[(6-chloropyridazin-3-yl)amino]ethyl]phenol

4-[2-[(6-chloropyridazin-3-yl)amino]ethyl]phenol (PubChem CID 61236927) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-[2-[(6-chloropyridazin-3-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(6-chloropyridazin-3-yl)amino]ethyl]phenol
PubChem CID61236927
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name4-[2-[(6-chloropyridazin-3-yl)amino]ethyl]phenol
SMILESOc1ccc(CCNc2ccc(Cl)nn2)cc1
InChIInChI=1S/C12H12ClN3O/c13-11-5-6-12(16-15-11)14-8-7-9-1-3-10(17)4-2-9/h1-6,17H,7-8H2,(H,14,16)
InChIKeyQUEHFCKMQUYPNL-UHFFFAOYSA-N
XLogP2.49
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine
CID 115520523
6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-amine
CID 64532057
5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol
CID 106128611
4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol
CID 80798348
4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66330560
4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797368
N'-(6-chloropyridazin-3-yl)-N-cyclopropylethane-1,2-diamine
CID 62663579
6-chloro-N-(4-methylpentyl)pyridazin-3-amine
CID 61039068
4-[2-[(4-chloropyrimidin-2-yl)amino]ethyl]phenol;2,4-dichloropyrimidine
CID 87247267
4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776341
4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 80797730
6-chloro-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine
CID 60674018

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-chloropyridazin-3-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(6-chloropyridazin-3-yl)amino]ethyl]phenol (CID 61236927) is 4-[2-[(6-chloropyridazin-3-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(6-chloropyridazin-3-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(6-chloropyridazin-3-yl)amino]ethyl]phenol is Oc1ccc(CCNc2ccc(Cl)nn2)cc1.
What is the InChIKey of 4-[2-[(6-chloropyridazin-3-yl)amino]ethyl]phenol?
The InChIKey is QUEHFCKMQUYPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-11-5-6-12(16-15-11)14-8-7-9-1-3-10(17)4-2-9/h1-6,17H,7-8H2,(H,14,16).
What are the key properties of 4-[2-[(6-chloropyridazin-3-yl)amino]ethyl]phenol?
4-[2-[(6-chloropyridazin-3-yl)amino]ethyl]phenol has a molecular weight of 249.70 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-chloropyridazin-3-yl)amino]ethyl]phenol is sourced from PubChem (CID 61236927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).