5-chloro-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol

C17H21ClN4O — CID 155284657

IUPAC5-chloro-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
SMILESCc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(Cl)cc1O
InChIInChI=1S/C17H21ClN4O/c1-11-8-16(19-13-4-3-7-22(2)10-13)20-21-17(11)14-6-5-12(18)9-15(14)23/h5-6,8-9,13,23H,3-4,7,10H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyGCTZWSACTIOQQX-CYBMUJFWSA-N
MW332.84 g/mol
LogP3.32
Rot. Bonds3

About 5-chloro-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol

5-chloro-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol (PubChem CID 155284657) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 5-chloro-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-chloro-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
PubChem CID155284657
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name5-chloro-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
SMILESCc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(Cl)cc1O
InChIInChI=1S/C17H21ClN4O/c1-11-8-16(19-13-4-3-7-22(2)10-13)20-21-17(11)14-6-5-12(18)9-15(14)23/h5-6,8-9,13,23H,3-4,7,10H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyGCTZWSACTIOQQX-CYBMUJFWSA-N
XLogP3.32
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
The IUPAC name of 5-chloro-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol (CID 155284657) is 5-chloro-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 5-chloro-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
The canonical SMILES for 5-chloro-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol is Cc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(Cl)cc1O.
What is the InChIKey of 5-chloro-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
The InChIKey is GCTZWSACTIOQQX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-11-8-16(19-13-4-3-7-22(2)10-13)20-21-17(11)14-6-5-12(18)9-15(14)23/h5-6,8-9,13,23H,3-4,7,10H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 5-chloro-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
5-chloro-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol has a molecular weight of 332.84 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 155284657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).