2-[5-[6-(dimethylamino)pyridazin-3-yl]-1-[2-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanol

C19H24N6O2 — CID 146147503

IUPAC2-[5-[6-(dimethylamino)pyridazin-3-yl]-1-[2-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanol
SMILESCc1ccccc1OCCn1nc(CCO)nc1-c1ccc(N(C)C)nn1
InChIInChI=1S/C19H24N6O2/c1-14-6-4-5-7-16(14)27-13-11-25-19(20-17(23-25)10-12-26)15-8-9-18(22-21-15)24(2)3/h4-9,26H,10-13H2,1-3H3
InChIKeyMVTXTWLNKOUOJV-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.72
Rot. Bonds8

About 2-[5-[6-(dimethylamino)pyridazin-3-yl]-1-[2-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanol

2-[5-[6-(dimethylamino)pyridazin-3-yl]-1-[2-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanol (PubChem CID 146147503) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[5-[6-(dimethylamino)pyridazin-3-yl]-1-[2-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-[6-(dimethylamino)pyridazin-3-yl]-1-[2-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanol
PubChem CID146147503
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name2-[5-[6-(dimethylamino)pyridazin-3-yl]-1-[2-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanol
SMILESCc1ccccc1OCCn1nc(CCO)nc1-c1ccc(N(C)C)nn1
InChIInChI=1S/C19H24N6O2/c1-14-6-4-5-7-16(14)27-13-11-25-19(20-17(23-25)10-12-26)15-8-9-18(22-21-15)24(2)3/h4-9,26H,10-13H2,1-3H3
InChIKeyMVTXTWLNKOUOJV-UHFFFAOYSA-N
XLogP1.72
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-(dimethylamino)pyridazin-3-yl]-1-[2-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of 2-[5-[6-(dimethylamino)pyridazin-3-yl]-1-[2-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanol (CID 146147503) is 2-[5-[6-(dimethylamino)pyridazin-3-yl]-1-[2-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-[6-(dimethylamino)pyridazin-3-yl]-1-[2-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for 2-[5-[6-(dimethylamino)pyridazin-3-yl]-1-[2-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanol is Cc1ccccc1OCCn1nc(CCO)nc1-c1ccc(N(C)C)nn1.
What is the InChIKey of 2-[5-[6-(dimethylamino)pyridazin-3-yl]-1-[2-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanol?
The InChIKey is MVTXTWLNKOUOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-14-6-4-5-7-16(14)27-13-11-25-19(20-17(23-25)10-12-26)15-8-9-18(22-21-15)24(2)3/h4-9,26H,10-13H2,1-3H3.
What are the key properties of 2-[5-[6-(dimethylamino)pyridazin-3-yl]-1-[2-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanol?
2-[5-[6-(dimethylamino)pyridazin-3-yl]-1-[2-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanol has a molecular weight of 368.44 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[6-(dimethylamino)pyridazin-3-yl]-1-[2-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanol is sourced from PubChem (CID 146147503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).