2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol

C19H27N5O — CID 137029494

IUPAC2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol
SMILESC[C@H](C1CCN(c2cc(-c3ccccc3O)nnc2N)CC1)N(C)C
InChIInChI=1S/C19H27N5O/c1-13(23(2)3)14-8-10-24(11-9-14)17-12-16(21-22-19(17)20)15-6-4-5-7-18(15)25/h4-7,12-14,25H,8-11H2,1-3H3,(H2,20,22)/t13-/m1/s1
InChIKeyKQLSBMOKSUGCRT-CYBMUJFWSA-N
MW341.46 g/mol
LogP2.60
Rot. Bonds4

About 2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol

2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol (PubChem CID 137029494) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol
PubChem CID137029494
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol
SMILESC[C@H](C1CCN(c2cc(-c3ccccc3O)nnc2N)CC1)N(C)C
InChIInChI=1S/C19H27N5O/c1-13(23(2)3)14-8-10-24(11-9-14)17-12-16(21-22-19(17)20)15-6-4-5-7-18(15)25/h4-7,12-14,25H,8-11H2,1-3H3,(H2,20,22)/t13-/m1/s1
InChIKeyKQLSBMOKSUGCRT-CYBMUJFWSA-N
XLogP2.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol (CID 137029494) is 2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol is C[C@H](C1CCN(c2cc(-c3ccccc3O)nnc2N)CC1)N(C)C.
What is the InChIKey of 2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol?
The InChIKey is KQLSBMOKSUGCRT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H27N5O/c1-13(23(2)3)14-8-10-24(11-9-14)17-12-16(21-22-19(17)20)15-6-4-5-7-18(15)25/h4-7,12-14,25H,8-11H2,1-3H3,(H2,20,22)/t13-/m1/s1.
What are the key properties of 2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol?
2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol has a molecular weight of 341.46 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 137029494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).