(1S)-1-phenyl-2-(6-pyridin-2-ylpyridazin-3-yl)oxyethanamine;3-(2-pyrazol-1-ylethoxy)-6-pyridin-2-ylpyridazine;2-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]-1,3-benzoxazole;3-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]isoquinoline;3-pyridin-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyridazine;3-pyridin-2-yl-6-(2H-pyrrol-5-ylmethoxy)pyridazine;3-pyridin-2-yl-6-(3-pyrrol-1-ylpropoxy)pyridazine;trans-(1R,2R)-2-(6-pyridin-2-ylpyridazin-3-yl)oxycyclohexan-1-amine

C127H119N33O9 — CID 157145598

IUPAC(1S)-1-phenyl-2-(6-pyridin-2-ylpyridazin-3-yl)oxyethanamine;3-(2-pyrazol-1-ylethoxy)-6-pyridin-2-ylpyridazine;2-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]-1,3-benzoxazole;3-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]isoquinoline;3-pyridin-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyridazine;3-pyridin-2-yl-6-(2H-pyrrol-5-ylmethoxy)pyridazine;3-pyridin-2-yl-6-(3-pyrrol-1-ylpropoxy)pyridazine;trans-(1R,2R)-2-(6-pyridin-2-ylpyridazin-3-yl)oxycyclohexan-1-amine
SMILESC1=CC(COc2ccc(-c3ccccn3)nn2)=NC1.N[C@@H]1CCCC[C@H]1Oc1ccc(-c2ccccn2)nn1.N[C@H](COc1ccc(-c2ccccn2)nn1)c1ccccc1.c1ccc(-c2ccc(OCCCn3cccc3)nn2)nc1.c1ccc(-c2ccc(OCCN3CCCC3)nn2)nc1.c1ccc(-c2ccc(OCCn3cccn3)nn2)nc1.c1ccc(-c2ccc(OCc3cc4ccccc4cn3)nn2)nc1.c1ccc(-c2ccc(OCc3nc4ccccc4o3)nn2)nc1
InChIInChI=1S/C19H14N4O.C17H12N4O2.C17H16N4O.C16H16N4O.2C15H18N4O.C14H13N5O.C14H12N4O/c1-2-6-15-12-21-16(11-14(15)5-1)13-24-19-9-8-18(22-23-19)17-7-3-4-10-20-17;1-2-7-15-14(6-1)19-17(23-15)11-22-16-9-8-13(20-21-16)12-5-3-4-10-18-12;18-14(13-6-2-1-3-7-13)12-22-17-10-9-16(20-21-17)15-8-4-5-11-19-15;1-2-9-17-14(6-1)15-7-8-16(19-18-15)21-13-5-12-20-10-3-4-11-20;1-2-8-16-13(5-1)14-6-7-15(18-17-14)20-12-11-19-9-3-4-10-19;16-11-5-1-2-7-14(11)20-15-9-8-13(18-19-15)12-6-3-4-10-17-12;1-2-7-15-12(4-1)13-5-6-14(18-17-13)20-11-10-19-9-3-8-16-19;1-2-8-16-12(5-1)13-6-7-14(18-17-13)19-10-11-4-3-9-15-11/h1-12H,13H2;1-10H,11H2;1-11,14H,12,18H2;1-4,6-11H,5,12-13H2;1-2,5-8H,3-4,9-12H2;3-4,6,8-11,14H,1-2,5,7,16H2;1-9H,10-11H2;1-8H,9-10H2/t;;14-;;;11-,14-;;/m..1..1../s1
InChIKeyAKQXUDIYPIJXBW-LZMUYDSWSA-N
MW2251.57 g/mol
LogP20.29
Rot. Bonds36

About (1S)-1-phenyl-2-(6-pyridin-2-ylpyridazin-3-yl)oxyethanamine;3-(2-pyrazol-1-ylethoxy)-6-pyridin-2-ylpyridazine;2-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]-1,3-benzoxazole;3-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]isoquinoline;3-pyridin-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyridazine;3-pyridin-2-yl-6-(2H-pyrrol-5-ylmethoxy)pyridazine;3-pyridin-2-yl-6-(3-pyrrol-1-ylpropoxy)pyridazine;trans-(1R,2R)-2-(6-pyridin-2-ylpyridazin-3-yl)oxycyclohexan-1-amine

(1S)-1-phenyl-2-(6-pyridin-2-ylpyridazin-3-yl)oxyethanamine;3-(2-pyrazol-1-ylethoxy)-6-pyridin-2-ylpyridazine;2-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]-1,3-benzoxazole;3-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]isoquinoline;3-pyridin-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyridazine;3-pyridin-2-yl-6-(2H-pyrrol-5-ylmethoxy)pyridazine;3-pyridin-2-yl-6-(3-pyrrol-1-ylpropoxy)pyridazine;trans-(1R,2R)-2-(6-pyridin-2-ylpyridazin-3-yl)oxycyclohexan-1-amine (PubChem CID 157145598) has the molecular formula C127H119N33O9 and a molecular weight of 2251.57 g/mol. Its IUPAC name is (1S)-1-phenyl-2-(6-pyridin-2-ylpyridazin-3-yl)oxyethanamine;3-(2-pyrazol-1-ylethoxy)-6-pyridin-2-ylpyridazine;2-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]-1,3-benzoxazole;3-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]isoquinoline;3-pyridin-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyridazine;3-pyridin-2-yl-6-(2H-pyrrol-5-ylmethoxy)pyridazine;3-pyridin-2-yl-6-(3-pyrrol-1-ylpropoxy)pyridazine;trans-(1R,2R)-2-(6-pyridin-2-ylpyridazin-3-yl)oxycyclohexan-1-amine.

Molecular Properties

Compound Name(1S)-1-phenyl-2-(6-pyridin-2-ylpyridazin-3-yl)oxyethanamine;3-(2-pyrazol-1-ylethoxy)-6-pyridin-2-ylpyridazine;2-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]-1,3-benzoxazole;3-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]isoquinoline;3-pyridin-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyridazine;3-pyridin-2-yl-6-(2H-pyrrol-5-ylmethoxy)pyridazine;3-pyridin-2-yl-6-(3-pyrrol-1-ylpropoxy)pyridazine;trans-(1R,2R)-2-(6-pyridin-2-ylpyridazin-3-yl)oxycyclohexan-1-amine
PubChem CID157145598
Molecular FormulaC127H119N33O9
Molecular Weight2251.57 g/mol
Exact Mass2249.99
IUPAC Name(1S)-1-phenyl-2-(6-pyridin-2-ylpyridazin-3-yl)oxyethanamine;3-(2-pyrazol-1-ylethoxy)-6-pyridin-2-ylpyridazine;2-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]-1,3-benzoxazole;3-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]isoquinoline;3-pyridin-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyridazine;3-pyridin-2-yl-6-(2H-pyrrol-5-ylmethoxy)pyridazine;3-pyridin-2-yl-6-(3-pyrrol-1-ylpropoxy)pyridazine;trans-(1R,2R)-2-(6-pyridin-2-ylpyridazin-3-yl)oxycyclohexan-1-amine
SMILESC1=CC(COc2ccc(-c3ccccn3)nn2)=NC1.N[C@@H]1CCCC[C@H]1Oc1ccc(-c2ccccn2)nn1.N[C@H](COc1ccc(-c2ccccn2)nn1)c1ccccc1.c1ccc(-c2ccc(OCCCn3cccc3)nn2)nc1.c1ccc(-c2ccc(OCCN3CCCC3)nn2)nc1.c1ccc(-c2ccc(OCCn3cccn3)nn2)nc1.c1ccc(-c2ccc(OCc3cc4ccccc4cn3)nn2)nc1.c1ccc(-c2ccc(OCc3nc4ccccc4o3)nn2)nc1
InChIInChI=1S/C19H14N4O.C17H12N4O2.C17H16N4O.C16H16N4O.2C15H18N4O.C14H13N5O.C14H12N4O/c1-2-6-15-12-21-16(11-14(15)5-1)13-24-19-9-8-18(22-23-19)17-7-3-4-10-20-17;1-2-7-15-14(6-1)19-17(23-15)11-22-16-9-8-13(20-21-16)12-5-3-4-10-18-12;18-14(13-6-2-1-3-7-13)12-22-17-10-9-16(20-21-17)15-8-4-5-11-19-15;1-2-9-17-14(6-1)15-7-8-16(19-18-15)21-13-5-12-20-10-3-4-11-20;1-2-8-16-13(5-1)14-6-7-15(18-17-14)20-12-11-19-9-3-4-10-19;16-11-5-1-2-7-14(11)20-15-9-8-13(18-19-15)12-6-3-4-10-17-12;1-2-7-15-12(4-1)13-5-6-14(18-17-13)20-11-10-19-9-3-8-16-19;1-2-8-16-12(5-1)13-6-7-14(18-17-13)19-10-11-4-3-9-15-11/h1-12H,13H2;1-10H,11H2;1-11,14H,12,18H2;1-4,6-11H,5,12-13H2;1-2,5-8H,3-4,9-12H2;3-4,6,8-11,14H,1-2,5,7,16H2;1-9H,10-11H2;1-8H,9-10H2/t;;14-;;;11-,14-;;/m..1..1../s1
InChIKeyAKQXUDIYPIJXBW-LZMUYDSWSA-N
XLogP20.29
TPSA512.51 Ų
H-Bond Donors2
H-Bond Acceptors42
Rotatable Bonds36
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002251.57
LogP ≤ 520.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1S)-1-phenyl-2-(6-pyridin-2-ylpyridazin-3-yl)oxyethanamine;3-(2-pyrazol-1-ylethoxy)-6-pyridin-2-ylpyridazine;2-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]-1,3-benzoxazole;3-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]isoquinoline;3-pyridin-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyridazine;3-pyridin-2-yl-6-(2H-pyrrol-5-ylmethoxy)pyridazine;3-pyridin-2-yl-6-(3-pyrrol-1-ylpropoxy)pyridazine;trans-(1R,2R)-2-(6-pyridin-2-ylpyridazin-3-yl)oxycyclohexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2-(6-pyridin-2-ylpyridazin-3-yl)oxyethanamine;3-(2-pyrazol-1-ylethoxy)-6-pyridin-2-ylpyridazine;2-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]-1,3-benzoxazole;3-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]isoquinoline;3-pyridin-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyridazine;3-pyridin-2-yl-6-(2H-pyrrol-5-ylmethoxy)pyridazine;3-pyridin-2-yl-6-(3-pyrrol-1-ylpropoxy)pyridazine;trans-(1R,2R)-2-(6-pyridin-2-ylpyridazin-3-yl)oxycyclohexan-1-amine?
The IUPAC name of (1S)-1-phenyl-2-(6-pyridin-2-ylpyridazin-3-yl)oxyethanamine;3-(2-pyrazol-1-ylethoxy)-6-pyridin-2-ylpyridazine;2-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]-1,3-benzoxazole;3-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]isoquinoline;3-pyridin-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyridazine;3-pyridin-2-yl-6-(2H-pyrrol-5-ylmethoxy)pyridazine;3-pyridin-2-yl-6-(3-pyrrol-1-ylpropoxy)pyridazine;trans-(1R,2R)-2-(6-pyridin-2-ylpyridazin-3-yl)oxycyclohexan-1-amine (CID 157145598) is (1S)-1-phenyl-2-(6-pyridin-2-ylpyridazin-3-yl)oxyethanamine;3-(2-pyrazol-1-ylethoxy)-6-pyridin-2-ylpyridazine;2-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]-1,3-benzoxazole;3-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]isoquinoline;3-pyridin-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyridazine;3-pyridin-2-yl-6-(2H-pyrrol-5-ylmethoxy)pyridazine;3-pyridin-2-yl-6-(3-pyrrol-1-ylpropoxy)pyridazine;trans-(1R,2R)-2-(6-pyridin-2-ylpyridazin-3-yl)oxycyclohexan-1-amine.
What is the SMILES notation for (1S)-1-phenyl-2-(6-pyridin-2-ylpyridazin-3-yl)oxyethanamine;3-(2-pyrazol-1-ylethoxy)-6-pyridin-2-ylpyridazine;2-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]-1,3-benzoxazole;3-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]isoquinoline;3-pyridin-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyridazine;3-pyridin-2-yl-6-(2H-pyrrol-5-ylmethoxy)pyridazine;3-pyridin-2-yl-6-(3-pyrrol-1-ylpropoxy)pyridazine;trans-(1R,2R)-2-(6-pyridin-2-ylpyridazin-3-yl)oxycyclohexan-1-amine?
The canonical SMILES for (1S)-1-phenyl-2-(6-pyridin-2-ylpyridazin-3-yl)oxyethanamine;3-(2-pyrazol-1-ylethoxy)-6-pyridin-2-ylpyridazine;2-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]-1,3-benzoxazole;3-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]isoquinoline;3-pyridin-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyridazine;3-pyridin-2-yl-6-(2H-pyrrol-5-ylmethoxy)pyridazine;3-pyridin-2-yl-6-(3-pyrrol-1-ylpropoxy)pyridazine;trans-(1R,2R)-2-(6-pyridin-2-ylpyridazin-3-yl)oxycyclohexan-1-amine is C1=CC(COc2ccc(-c3ccccn3)nn2)=NC1.N[C@@H]1CCCC[C@H]1Oc1ccc(-c2ccccn2)nn1.N[C@H](COc1ccc(-c2ccccn2)nn1)c1ccccc1.c1ccc(-c2ccc(OCCCn3cccc3)nn2)nc1.c1ccc(-c2ccc(OCCN3CCCC3)nn2)nc1.c1ccc(-c2ccc(OCCn3cccn3)nn2)nc1.c1ccc(-c2ccc(OCc3cc4ccccc4cn3)nn2)nc1.c1ccc(-c2ccc(OCc3nc4ccccc4o3)nn2)nc1.
What is the InChIKey of (1S)-1-phenyl-2-(6-pyridin-2-ylpyridazin-3-yl)oxyethanamine;3-(2-pyrazol-1-ylethoxy)-6-pyridin-2-ylpyridazine;2-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]-1,3-benzoxazole;3-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]isoquinoline;3-pyridin-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyridazine;3-pyridin-2-yl-6-(2H-pyrrol-5-ylmethoxy)pyridazine;3-pyridin-2-yl-6-(3-pyrrol-1-ylpropoxy)pyridazine;trans-(1R,2R)-2-(6-pyridin-2-ylpyridazin-3-yl)oxycyclohexan-1-amine?
The InChIKey is AKQXUDIYPIJXBW-LZMUYDSWSA-N. The full InChI is InChI=1S/C19H14N4O.C17H12N4O2.C17H16N4O.C16H16N4O.2C15H18N4O.C14H13N5O.C14H12N4O/c1-2-6-15-12-21-16(11-14(15)5-1)13-24-19-9-8-18(22-23-19)17-7-3-4-10-20-17;1-2-7-15-14(6-1)19-17(23-15)11-22-16-9-8-13(20-21-16)12-5-3-4-10-18-12;18-14(13-6-2-1-3-7-13)12-22-17-10-9-16(20-21-17)15-8-4-5-11-19-15;1-2-9-17-14(6-1)15-7-8-16(19-18-15)21-13-5-12-20-10-3-4-11-20;1-2-8-16-13(5-1)14-6-7-15(18-17-14)20-12-11-19-9-3-4-10-19;16-11-5-1-2-7-14(11)20-15-9-8-13(18-19-15)12-6-3-4-10-17-12;1-2-7-15-12(4-1)13-5-6-14(18-17-13)20-11-10-19-9-3-8-16-19;1-2-8-16-12(5-1)13-6-7-14(18-17-13)19-10-11-4-3-9-15-11/h1-12H,13H2;1-10H,11H2;1-11,14H,12,18H2;1-4,6-11H,5,12-13H2;1-2,5-8H,3-4,9-12H2;3-4,6,8-11,14H,1-2,5,7,16H2;1-9H,10-11H2;1-8H,9-10H2/t;;14-;;;11-,14-;;/m..1..1../s1.
What are the key properties of (1S)-1-phenyl-2-(6-pyridin-2-ylpyridazin-3-yl)oxyethanamine;3-(2-pyrazol-1-ylethoxy)-6-pyridin-2-ylpyridazine;2-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]-1,3-benzoxazole;3-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]isoquinoline;3-pyridin-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyridazine;3-pyridin-2-yl-6-(2H-pyrrol-5-ylmethoxy)pyridazine;3-pyridin-2-yl-6-(3-pyrrol-1-ylpropoxy)pyridazine;trans-(1R,2R)-2-(6-pyridin-2-ylpyridazin-3-yl)oxycyclohexan-1-amine?
(1S)-1-phenyl-2-(6-pyridin-2-ylpyridazin-3-yl)oxyethanamine;3-(2-pyrazol-1-ylethoxy)-6-pyridin-2-ylpyridazine;2-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]-1,3-benzoxazole;3-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]isoquinoline;3-pyridin-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyridazine;3-pyridin-2-yl-6-(2H-pyrrol-5-ylmethoxy)pyridazine;3-pyridin-2-yl-6-(3-pyrrol-1-ylpropoxy)pyridazine;trans-(1R,2R)-2-(6-pyridin-2-ylpyridazin-3-yl)oxycyclohexan-1-amine has a molecular weight of 2251.57 g/mol, XLogP of 20.29, 36 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2-(6-pyridin-2-ylpyridazin-3-yl)oxyethanamine;3-(2-pyrazol-1-ylethoxy)-6-pyridin-2-ylpyridazine;2-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]-1,3-benzoxazole;3-[(6-pyridin-2-ylpyridazin-3-yl)oxymethyl]isoquinoline;3-pyridin-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyridazine;3-pyridin-2-yl-6-(2H-pyrrol-5-ylmethoxy)pyridazine;3-pyridin-2-yl-6-(3-pyrrol-1-ylpropoxy)pyridazine;trans-(1R,2R)-2-(6-pyridin-2-ylpyridazin-3-yl)oxycyclohexan-1-amine is sourced from PubChem (CID 157145598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).