3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol

C13H15N5O2 — CID 133493815

IUPAC3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol
SMILESCc1nnc2ccc(NC(CCO)c3ccco3)nn12
InChIInChI=1S/C13H15N5O2/c1-9-15-16-13-5-4-12(17-18(9)13)14-10(6-7-19)11-3-2-8-20-11/h2-5,8,10,19H,6-7H2,1H3,(H,14,17)
InChIKeyOSPZHTGPHWJRFS-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.56
Rot. Bonds5

About 3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol

3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol (PubChem CID 133493815) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol
PubChem CID133493815
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol
SMILESCc1nnc2ccc(NC(CCO)c3ccco3)nn12
InChIInChI=1S/C13H15N5O2/c1-9-15-16-13-5-4-12(17-18(9)13)14-10(6-7-19)11-3-2-8-20-11/h2-5,8,10,19H,6-7H2,1H3,(H,14,17)
InChIKeyOSPZHTGPHWJRFS-UHFFFAOYSA-N
XLogP1.56
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol with MolForge

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Related Compounds

3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(furan-2-yl)propan-1-ol
CID 133490705
3-(furan-2-yl)-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol
CID 133490838
3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133490778
6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-N-methylpyridazine-3-carboxamide
CID 133490799
4-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pentan-1-ol
CID 71870907
3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 133490704
N-[2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]furan-2-carboxamide
CID 60520977
3-anilino-3-(furan-2-yl)propan-1-ol
CID 83821736
3-(furan-2-yl)-3-(pyrido[2,3-b]pyrazin-6-ylamino)propan-1-ol
CID 133493774
N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 97059499
7-ethyl-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133490844
3-(furan-2-yl)-3-(propylamino)propan-1-ol
CID 64814709

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol?
The IUPAC name of 3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol (CID 133493815) is 3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol.
What is the SMILES notation for 3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol?
The canonical SMILES for 3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol is Cc1nnc2ccc(NC(CCO)c3ccco3)nn12.
What is the InChIKey of 3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol?
The InChIKey is OSPZHTGPHWJRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-9-15-16-13-5-4-12(17-18(9)13)14-10(6-7-19)11-3-2-8-20-11/h2-5,8,10,19H,6-7H2,1H3,(H,14,17).
What are the key properties of 3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol?
3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol has a molecular weight of 273.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol is sourced from PubChem (CID 133493815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).