2-[6-[[2-(diethylamino)-2-methylpropyl]amino]-4-methylpyridazin-3-yl]phenol

C19H28N4O — CID 135795216

IUPAC2-[6-[[2-(diethylamino)-2-methylpropyl]amino]-4-methylpyridazin-3-yl]phenol
SMILESCCN(CC)C(C)(C)CNc1cc(C)c(-c2ccccc2O)nn1
InChIInChI=1S/C19H28N4O/c1-6-23(7-2)19(4,5)13-20-17-12-14(3)18(22-21-17)15-10-8-9-11-16(15)24/h8-12,24H,6-7,13H2,1-5H3,(H,20,21)
InChIKeyHEWVAQVRDUUHIV-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.69
Rot. Bonds7

About 2-[6-[[2-(diethylamino)-2-methylpropyl]amino]-4-methylpyridazin-3-yl]phenol

2-[6-[[2-(diethylamino)-2-methylpropyl]amino]-4-methylpyridazin-3-yl]phenol (PubChem CID 135795216) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[6-[[2-(diethylamino)-2-methylpropyl]amino]-4-methylpyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-[[2-(diethylamino)-2-methylpropyl]amino]-4-methylpyridazin-3-yl]phenol
PubChem CID135795216
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2-[6-[[2-(diethylamino)-2-methylpropyl]amino]-4-methylpyridazin-3-yl]phenol
SMILESCCN(CC)C(C)(C)CNc1cc(C)c(-c2ccccc2O)nn1
InChIInChI=1S/C19H28N4O/c1-6-23(7-2)19(4,5)13-20-17-12-14(3)18(22-21-17)15-10-8-9-11-16(15)24/h8-12,24H,6-7,13H2,1-5H3,(H,20,21)
InChIKeyHEWVAQVRDUUHIV-UHFFFAOYSA-N
XLogP3.69
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Moxiraprine
CID 71258
(R)-2-(6-((1-Ethylpiperidin-3-yl)amino)pyridazin-3-yl)-3-methyl-5-(trifluoromethyl)phenol
CID 155284649
SMARCA-BD ligand 1 for Protac
CID 137045944
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
3-Hydroxy-4-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)benzonitrile
CID 136253042
2-(6-Amino-5-(pyrrolidin-
CID 137029371
US10308614, Example 6
CID 137029398
2-(6-Amino-5-(piperidin-1-yl)pyridazin-3-yl)phenol
CID 137045907
US11208399, Example 48
CID 155284639

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[2-(diethylamino)-2-methylpropyl]amino]-4-methylpyridazin-3-yl]phenol?
The IUPAC name of 2-[6-[[2-(diethylamino)-2-methylpropyl]amino]-4-methylpyridazin-3-yl]phenol (CID 135795216) is 2-[6-[[2-(diethylamino)-2-methylpropyl]amino]-4-methylpyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-[[2-(diethylamino)-2-methylpropyl]amino]-4-methylpyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-[[2-(diethylamino)-2-methylpropyl]amino]-4-methylpyridazin-3-yl]phenol is CCN(CC)C(C)(C)CNc1cc(C)c(-c2ccccc2O)nn1.
What is the InChIKey of 2-[6-[[2-(diethylamino)-2-methylpropyl]amino]-4-methylpyridazin-3-yl]phenol?
The InChIKey is HEWVAQVRDUUHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-6-23(7-2)19(4,5)13-20-17-12-14(3)18(22-21-17)15-10-8-9-11-16(15)24/h8-12,24H,6-7,13H2,1-5H3,(H,20,21).
What are the key properties of 2-[6-[[2-(diethylamino)-2-methylpropyl]amino]-4-methylpyridazin-3-yl]phenol?
2-[6-[[2-(diethylamino)-2-methylpropyl]amino]-4-methylpyridazin-3-yl]phenol has a molecular weight of 328.46 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[2-(diethylamino)-2-methylpropyl]amino]-4-methylpyridazin-3-yl]phenol is sourced from PubChem (CID 135795216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).