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

C11H17N5O2 — CID 133415348

IUPAC1-methoxy-4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]butan-2-ol
SMILESCOCC(O)CCNc1ccc2nnc(C)n2n1
InChIInChI=1S/C11H17N5O2/c1-8-13-14-11-4-3-10(15-16(8)11)12-6-5-9(17)7-18-2/h3-4,9,17H,5-7H2,1-2H3,(H,12,15)
InChIKeyWJGOLEUZFVYIEI-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.24
Rot. Bonds6

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

1-methoxy-4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]butan-2-ol (PubChem CID 133415348) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-methoxy-4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]butan-2-ol
PubChem CID133415348
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name1-methoxy-4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]butan-2-ol
SMILESCOCC(O)CCNc1ccc2nnc(C)n2n1
InChIInChI=1S/C11H17N5O2/c1-8-13-14-11-4-3-10(15-16(8)11)12-6-5-9(17)7-18-2/h3-4,9,17H,5-7H2,1-2H3,(H,12,15)
InChIKeyWJGOLEUZFVYIEI-UHFFFAOYSA-N
XLogP0.24
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate
CID 7446930
2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetic acid
CID 4736985
1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol
CID 103875647
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133305834
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 60520890
4-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pentan-1-ol
CID 71870907
N-[2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]furan-2-carboxamide
CID 60520977
3-(difluoromethyl)-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133365986
3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile
CID 106243451
1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 106248740
N-[2-[6-(2-methoxyethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-methylbenzamide
CID 43957698
6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid
CID 106247946

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]butan-2-ol?
The IUPAC name of 1-methoxy-4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]butan-2-ol (CID 133415348) is 1-methoxy-4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]butan-2-ol.
What is the SMILES notation for 1-methoxy-4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]butan-2-ol?
The canonical SMILES for 1-methoxy-4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]butan-2-ol is COCC(O)CCNc1ccc2nnc(C)n2n1.
What is the InChIKey of 1-methoxy-4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]butan-2-ol?
The InChIKey is WJGOLEUZFVYIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-8-13-14-11-4-3-10(15-16(8)11)12-6-5-9(17)7-18-2/h3-4,9,17H,5-7H2,1-2H3,(H,12,15).
What are the key properties of 1-methoxy-4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]butan-2-ol?
1-methoxy-4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]butan-2-ol has a molecular weight of 251.29 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]butan-2-ol is sourced from PubChem (CID 133415348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).