2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol

C20H20N6O — CID 133335614

IUPAC2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
SMILESOCC(CNc1ccc2nnc(-c3ccccc3)n2n1)Cc1ccccn1
InChIInChI=1S/C20H20N6O/c27-14-15(12-17-8-4-5-11-21-17)13-22-18-9-10-19-23-24-20(26(19)25-18)16-6-2-1-3-7-16/h1-11,15,27H,12-14H2,(H,22,25)
InChIKeyHHCCSATYMLDUTI-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.45
Rot. Bonds7

About 2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol

2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol (PubChem CID 133335614) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
PubChem CID133335614
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
SMILESOCC(CNc1ccc2nnc(-c3ccccc3)n2n1)Cc1ccccn1
InChIInChI=1S/C20H20N6O/c27-14-15(12-17-8-4-5-11-21-17)13-22-18-9-10-19-23-24-20(26(19)25-18)16-6-2-1-3-7-16/h1-11,15,27H,12-14H2,(H,22,25)
InChIKeyHHCCSATYMLDUTI-UHFFFAOYSA-N
XLogP2.45
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 133335592
2-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 133335566
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71996278
2-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-pyridin-2-ylacetamide
CID 133367595
N-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133304991
2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133455211
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133399621
2-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 133475917
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 154781604
3-(furan-2-yl)-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol
CID 133490838
3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 47983521
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
CID 111784465

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol?
The IUPAC name of 2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol (CID 133335614) is 2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol is OCC(CNc1ccc2nnc(-c3ccccc3)n2n1)Cc1ccccn1.
What is the InChIKey of 2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol?
The InChIKey is HHCCSATYMLDUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c27-14-15(12-17-8-4-5-11-21-17)13-22-18-9-10-19-23-24-20(26(19)25-18)16-6-2-1-3-7-16/h1-11,15,27H,12-14H2,(H,22,25).
What are the key properties of 2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol?
2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol has a molecular weight of 360.42 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 133335614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).