2-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol

C14H18N4OS — CID 133335566

IUPAC2-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
SMILESCSc1ccc(NCC(CO)Cc2ccccn2)nn1
InChIInChI=1S/C14H18N4OS/c1-20-14-6-5-13(17-18-14)16-9-11(10-19)8-12-4-2-3-7-15-12/h2-7,11,19H,8-10H2,1H3,(H,16,17)
InChIKeySNLLQWRTEMOVQT-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.86
Rot. Bonds7

About 2-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol

2-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol (PubChem CID 133335566) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name2-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
PubChem CID133335566
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
SMILESCSc1ccc(NCC(CO)Cc2ccccn2)nn1
InChIInChI=1S/C14H18N4OS/c1-20-14-6-5-13(17-18-14)16-9-11(10-19)8-12-4-2-3-7-15-12/h2-7,11,19H,8-10H2,1H3,(H,16,17)
InChIKeySNLLQWRTEMOVQT-UHFFFAOYSA-N
XLogP1.86
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 133475917
2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 133335592
2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 133335614
2-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 111824291
2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133455211
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-(3-phenylbutan-2-yl)urea
CID 111795206
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
CID 111784465
2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 111824223
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide
CID 111784780
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444
2-(4-fluorophenoxy)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide
CID 111784540
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide
CID 111784833

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol?
The IUPAC name of 2-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol (CID 133335566) is 2-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 2-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 2-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol is CSc1ccc(NCC(CO)Cc2ccccn2)nn1.
What is the InChIKey of 2-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol?
The InChIKey is SNLLQWRTEMOVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-20-14-6-5-13(17-18-14)16-9-11(10-19)8-12-4-2-3-7-15-12/h2-7,11,19H,8-10H2,1H3,(H,16,17).
What are the key properties of 2-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol?
2-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol has a molecular weight of 290.39 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 133335566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).