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

C15H16F3N5O — CID 137029403

IUPAC2-[6-amino-5-[3-(trifluoromethyl)piperazin-1-yl]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCNC(C(F)(F)F)C1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)13-8-23(6-5-20-13)11-7-10(21-22-14(11)19)9-3-1-2-4-12(9)24/h1-4,7,13,20,24H,5-6,8H2,(H2,19,22)
InChIKeyCFDJFIHBLGQROE-UHFFFAOYSA-N
MW339.32 g/mol
LogP1.77
Rot. Bonds2

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

2-[6-amino-5-[3-(trifluoromethyl)piperazin-1-yl]pyridazin-3-yl]phenol (PubChem CID 137029403) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-[6-amino-5-[3-(trifluoromethyl)piperazin-1-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[3-(trifluoromethyl)piperazin-1-yl]pyridazin-3-yl]phenol
PubChem CID137029403
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name2-[6-amino-5-[3-(trifluoromethyl)piperazin-1-yl]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCNC(C(F)(F)F)C1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)13-8-23(6-5-20-13)11-7-10(21-22-14(11)19)9-3-1-2-4-12(9)24/h1-4,7,13,20,24H,5-6,8H2,(H2,19,22)
InChIKeyCFDJFIHBLGQROE-UHFFFAOYSA-N
XLogP1.77
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-2-(6-((1-Ethylpiperidin-3-yl)amino)pyridazin-3-yl)-3-methyl-5-(trifluoromethyl)phenol
CID 155284649
Gne-064
CID 137029447
Sgc-smarca-brdviii
CID 137045929
SMARCA-BD ligand 1 for Protac
CID 137045944
1-[3-Azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol
CID 154573641
US11208399, Example 4
CID 155284580
US11208399, Example 53
CID 155284733
2-{6-[2-(8-Aza-bicyclo[3.2.1]oct-8-yl)-ethylamino]-4-methyl-pyridazin-3-yl}-phenol
CID 135525247
5-Fluoro-2-{6-[methyl-(2,2,6,6-tetramethyl-piperidin-4-yl)-amino]-pyridazin-3-yl}-phenol
CID 136253018
US10308614, Example 45
CID 137029366
2-(6-Amino-5-(pyrrolidin-
CID 137029371
US10308614, Example 6
CID 137029398

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[3-(trifluoromethyl)piperazin-1-yl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[3-(trifluoromethyl)piperazin-1-yl]pyridazin-3-yl]phenol (CID 137029403) is 2-[6-amino-5-[3-(trifluoromethyl)piperazin-1-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[3-(trifluoromethyl)piperazin-1-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[3-(trifluoromethyl)piperazin-1-yl]pyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1N1CCNC(C(F)(F)F)C1.
What is the InChIKey of 2-[6-amino-5-[3-(trifluoromethyl)piperazin-1-yl]pyridazin-3-yl]phenol?
The InChIKey is CFDJFIHBLGQROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c16-15(17,18)13-8-23(6-5-20-13)11-7-10(21-22-14(11)19)9-3-1-2-4-12(9)24/h1-4,7,13,20,24H,5-6,8H2,(H2,19,22).
What are the key properties of 2-[6-amino-5-[3-(trifluoromethyl)piperazin-1-yl]pyridazin-3-yl]phenol?
2-[6-amino-5-[3-(trifluoromethyl)piperazin-1-yl]pyridazin-3-yl]phenol has a molecular weight of 339.32 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[3-(trifluoromethyl)piperazin-1-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 137029403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).