5-chloro-2-[6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol

C17H18ClF3N4O — CID 155284536

IUPAC5-chloro-2-[6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol
SMILESCN1CCCC(Nc2ccc(-c3c(O)cc(Cl)cc3C(F)(F)F)nn2)C1
InChIInChI=1S/C17H18ClF3N4O/c1-25-6-2-3-11(9-25)22-15-5-4-13(23-24-15)16-12(17(19,20)21)7-10(18)8-14(16)26/h4-5,7-8,11,26H,2-3,6,9H2,1H3,(H,22,24)
InChIKeyAFRPLZNEVQUADF-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.03
Rot. Bonds3

About 5-chloro-2-[6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol

5-chloro-2-[6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol (PubChem CID 155284536) has the molecular formula C17H18ClF3N4O and a molecular weight of 386.81 g/mol. Its IUPAC name is 5-chloro-2-[6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name5-chloro-2-[6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol
PubChem CID155284536
Molecular FormulaC17H18ClF3N4O
Molecular Weight386.81 g/mol
Exact Mass386.11
IUPAC Name5-chloro-2-[6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol
SMILESCN1CCCC(Nc2ccc(-c3c(O)cc(Cl)cc3C(F)(F)F)nn2)C1
InChIInChI=1S/C17H18ClF3N4O/c1-25-6-2-3-11(9-25)22-15-5-4-13(23-24-15)16-12(17(19,20)21)7-10(18)8-14(16)26/h4-5,7-8,11,26H,2-3,6,9H2,1H3,(H,22,24)
InChIKeyAFRPLZNEVQUADF-UHFFFAOYSA-N
XLogP4.03
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[6-[(1-methylpyrrolidin-3-yl)amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 155319514
3-methyl-2-[6-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 155284533
2-methyl-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol
CID 170381964
6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715566
5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 170156002
2-[6-[[1-(2-hydroxypropyl)piperidin-3-yl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
CID 155284573
5-chloro-2-[5-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
CID 170381656
3-methyl-2-[5-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 155284541
2-[6-[[(3S,6R)-6-(hydroxymethyl)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
CID 155284595
6-(2-methoxynaphthalen-1-yl)-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137722
2-[5-(hydroxymethyl)-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
CID 170764620
2-[6-[(3-hydroxycyclohexyl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
CID 155284560

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol?
The IUPAC name of 5-chloro-2-[6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol (CID 155284536) is 5-chloro-2-[6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol.
What is the SMILES notation for 5-chloro-2-[6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol?
The canonical SMILES for 5-chloro-2-[6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol is CN1CCCC(Nc2ccc(-c3c(O)cc(Cl)cc3C(F)(F)F)nn2)C1.
What is the InChIKey of 5-chloro-2-[6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol?
The InChIKey is AFRPLZNEVQUADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N4O/c1-25-6-2-3-11(9-25)22-15-5-4-13(23-24-15)16-12(17(19,20)21)7-10(18)8-14(16)26/h4-5,7-8,11,26H,2-3,6,9H2,1H3,(H,22,24).
What are the key properties of 5-chloro-2-[6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol?
5-chloro-2-[6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol has a molecular weight of 386.81 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol is sourced from PubChem (CID 155284536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).