N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C18H21N5O2 — CID 133348423

IUPACN-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(COC1CCOC1)Nc1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C18H21N5O2/c1-13(11-25-15-9-10-24-12-15)19-16-7-8-17-20-21-18(23(17)22-16)14-5-3-2-4-6-14/h2-8,13,15H,9-12H2,1H3,(H,19,22)
InChIKeyURODFKFQYJUOHU-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.40
Rot. Bonds6

About N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133348423) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133348423
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(COC1CCOC1)Nc1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C18H21N5O2/c1-13(11-25-15-9-10-24-12-15)19-16-7-8-17-20-21-18(23(17)22-16)14-5-3-2-4-6-14/h2-8,13,15H,9-12H2,1H3,(H,19,22)
InChIKeyURODFKFQYJUOHU-UHFFFAOYSA-N
XLogP2.40
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

2,6-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrimidin-4-amine
CID 133348335
5-(difluoromethoxy)-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyridin-2-amine
CID 97138326
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
6-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133348443
N-(1-morpholin-4-ylpropan-2-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489798
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95160951
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95160952
N-methyl-1-(oxolan-3-yloxy)propan-2-amine
CID 63556835
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-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71996278
N,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
CID 71685166

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133348423) is N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(COC1CCOC1)Nc1ccc2nnc(-c3ccccc3)n2n1.
What is the InChIKey of N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is URODFKFQYJUOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13(11-25-15-9-10-24-12-15)19-16-7-8-17-20-21-18(23(17)22-16)14-5-3-2-4-6-14/h2-8,13,15H,9-12H2,1H3,(H,19,22).
What are the key properties of N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 339.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133348423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).