(2S)-3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol

C8H9ClF3N3O — CID 155284618

IUPAC(2S)-3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESC[C@](O)(CNc1ccc(Cl)nn1)C(F)(F)F
InChIInChI=1S/C8H9ClF3N3O/c1-7(16,8(10,11)12)4-13-6-3-2-5(9)14-15-6/h2-3,16H,4H2,1H3,(H,13,15)/t7-/m0/s1
InChIKeyZZEBJIBTAMFUOC-ZETCQYMHSA-N
MW255.63 g/mol
LogP1.86
Rot. Bonds3

About (2S)-3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol

(2S)-3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 155284618) has the molecular formula C8H9ClF3N3O and a molecular weight of 255.63 g/mol. Its IUPAC name is (2S)-3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name(2S)-3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol
PubChem CID155284618
Molecular FormulaC8H9ClF3N3O
Molecular Weight255.63 g/mol
Exact Mass255.04
IUPAC Name(2S)-3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESC[C@](O)(CNc1ccc(Cl)nn1)C(F)(F)F
InChIInChI=1S/C8H9ClF3N3O/c1-7(16,8(10,11)12)4-13-6-3-2-5(9)14-15-6/h2-3,16H,4H2,1H3,(H,13,15)/t7-/m0/s1
InChIKeyZZEBJIBTAMFUOC-ZETCQYMHSA-N
XLogP1.86
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.63
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-Chloropyridazin-3-yl)amino]ethan-1-ol
CID 582312
6-chloro-N-propylpyridazin-3-amine
CID 14517670
6-chloro-N-ethylpyridazin-3-amine
CID 12446653
Pyridazine, 3-butylamino-6-chloro-
CID 136805
2-[(6-Chloropyridazin-3-yl)amino]acetic acid
CID 16228496
6-chloro-N-(3-methoxypropyl)pyridazin-3-amine
CID 9179275
1-((6-Chloropyridazin-3-yl)(methyl)amino)propan-2-ol
CID 12237595
3-chloro-6-[N-(2-hydroxypropyl)ethylamino]pyridazine
CID 12237596
6-chloro-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 29300684
6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-3-amine
CID 130907620
3-[[6-Chloro-4-(trifluoromethyl)pyridazin-3-yl]amino]-1-methylcyclobutan-1-ol
CID 155284606
3-[(6-Chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol
CID 155284619

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol?
The IUPAC name of (2S)-3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol (CID 155284618) is (2S)-3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol.
What is the SMILES notation for (2S)-3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol?
The canonical SMILES for (2S)-3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol is C[C@](O)(CNc1ccc(Cl)nn1)C(F)(F)F.
What is the InChIKey of (2S)-3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol?
The InChIKey is ZZEBJIBTAMFUOC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H9ClF3N3O/c1-7(16,8(10,11)12)4-13-6-3-2-5(9)14-15-6/h2-3,16H,4H2,1H3,(H,13,15)/t7-/m0/s1.
What are the key properties of (2S)-3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol?
(2S)-3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 255.63 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 155284618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).