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

C18H17N5O2 — CID 133490838

IUPAC3-(furan-2-yl)-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol
SMILESOCCC(Nc1ccc2nnc(-c3ccccc3)n2n1)c1ccco1
InChIInChI=1S/C18H17N5O2/c24-11-10-14(15-7-4-12-25-15)19-16-8-9-17-20-21-18(23(17)22-16)13-5-2-1-3-6-13/h1-9,12,14,24H,10-11H2,(H,19,22)
InChIKeyDYDRCMRYKSNYQR-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.92
Rot. Bonds6

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

3-(furan-2-yl)-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol (PubChem CID 133490838) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-(furan-2-yl)-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol
PubChem CID133490838
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name3-(furan-2-yl)-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol
SMILESOCCC(Nc1ccc2nnc(-c3ccccc3)n2n1)c1ccco1
InChIInChI=1S/C18H17N5O2/c24-11-10-14(15-7-4-12-25-15)19-16-8-9-17-20-21-18(23(17)22-16)13-5-2-1-3-6-13/h1-9,12,14,24H,10-11H2,(H,19,22)
InChIKeyDYDRCMRYKSNYQR-UHFFFAOYSA-N
XLogP2.92
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(furan-2-yl)-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]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-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(furan-2-yl)propan-1-ol
CID 133490705
N,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
CID 71685166
3-anilino-3-(furan-2-yl)propan-1-ol
CID 83821736
6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-N-methylpyridazine-3-carboxamide
CID 133490799
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133312004
N-[3-(furan-2-yl)-3-phenylpropyl]-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 45185273
3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133490778
3-phenyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133299697
3-(furan-2-yl)-3-(pyrido[2,3-b]pyrazin-6-ylamino)propan-1-ol
CID 133493774
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126457174
3-phenyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95767773

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol?
The IUPAC name of 3-(furan-2-yl)-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol (CID 133490838) is 3-(furan-2-yl)-3-[(3-phenyl-[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-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol?
The canonical SMILES for 3-(furan-2-yl)-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol is OCCC(Nc1ccc2nnc(-c3ccccc3)n2n1)c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol?
The InChIKey is DYDRCMRYKSNYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-11-10-14(15-7-4-12-25-15)19-16-8-9-17-20-21-18(23(17)22-16)13-5-2-1-3-6-13/h1-9,12,14,24H,10-11H2,(H,19,22).
What are the key properties of 3-(furan-2-yl)-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol?
3-(furan-2-yl)-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol has a molecular weight of 335.37 g/mol, XLogP of 2.92, 6 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-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol is sourced from PubChem (CID 133490838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).