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

C14H17N5O2 — CID 133490705

IUPAC3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(furan-2-yl)propan-1-ol
SMILESCCc1nnc2ccc(NC(CCO)c3ccco3)nn12
InChIInChI=1S/C14H17N5O2/c1-2-13-16-17-14-6-5-12(18-19(13)14)15-10(7-8-20)11-4-3-9-21-11/h3-6,9-10,20H,2,7-8H2,1H3,(H,15,18)
InChIKeyDGGPIZQWEHKOEB-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.82
Rot. Bonds6

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

3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(furan-2-yl)propan-1-ol (PubChem CID 133490705) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(furan-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(furan-2-yl)propan-1-ol
PubChem CID133490705
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(furan-2-yl)propan-1-ol
SMILESCCc1nnc2ccc(NC(CCO)c3ccco3)nn12
InChIInChI=1S/C14H17N5O2/c1-2-13-16-17-14-6-5-12(18-19(13)14)15-10(7-8-20)11-4-3-9-21-11/h3-6,9-10,20H,2,7-8H2,1H3,(H,15,18)
InChIKeyDGGPIZQWEHKOEB-UHFFFAOYSA-N
XLogP1.82
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol
CID 133493815
3-(furan-2-yl)-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol
CID 133490838
6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-N-methylpyridazine-3-carboxamide
CID 133490799
3-ethyl-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 39335688
3-(furan-2-yl)-3-(propylamino)propan-1-ol
CID 64814709
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-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133490778
3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol
CID 133490784
3-(furan-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-1-ol
CID 133490659
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
3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 133490704

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(furan-2-yl)propan-1-ol?
The IUPAC name of 3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(furan-2-yl)propan-1-ol (CID 133490705) is 3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(furan-2-yl)propan-1-ol.
What is the SMILES notation for 3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(furan-2-yl)propan-1-ol?
The canonical SMILES for 3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(furan-2-yl)propan-1-ol is CCc1nnc2ccc(NC(CCO)c3ccco3)nn12.
What is the InChIKey of 3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(furan-2-yl)propan-1-ol?
The InChIKey is DGGPIZQWEHKOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-2-13-16-17-14-6-5-12(18-19(13)14)15-10(7-8-20)11-4-3-9-21-11/h3-6,9-10,20H,2,7-8H2,1H3,(H,15,18).
What are the key properties of 3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(furan-2-yl)propan-1-ol?
3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(furan-2-yl)propan-1-ol has a molecular weight of 287.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(furan-2-yl)propan-1-ol is sourced from PubChem (CID 133490705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).