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

C12H19N5O — CID 71870907

IUPAC4-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pentan-1-ol
SMILESCc1nnc2ccc(NC(CO)CC(C)C)nn12
InChIInChI=1S/C12H19N5O/c1-8(2)6-10(7-18)13-11-4-5-12-15-14-9(3)17(12)16-11/h4-5,8,10,18H,6-7H2,1-3H3,(H,13,16)
InChIKeyXHPYWJSJIJANSQ-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.25
Rot. Bonds5

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

4-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pentan-1-ol (PubChem CID 71870907) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pentan-1-ol
PubChem CID71870907
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name4-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pentan-1-ol
SMILESCc1nnc2ccc(NC(CO)CC(C)C)nn12
InChIInChI=1S/C12H19N5O/c1-8(2)6-10(7-18)13-11-4-5-12-15-14-9(3)17(12)16-11/h4-5,8,10,18H,6-7H2,1-3H3,(H,13,16)
InChIKeyXHPYWJSJIJANSQ-UHFFFAOYSA-N
XLogP1.25
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[[6-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 59339217
(2S)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol
CID 133434767
N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 112843796
3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol
CID 133493815
3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71932052
(2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol
CID 133434777
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
3-methyl-N-(3-morpholin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133294787
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
1-methoxy-4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]butan-2-ol
CID 133415348
2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 61246447

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pentan-1-ol (CID 71870907) is 4-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pentan-1-ol is Cc1nnc2ccc(NC(CO)CC(C)C)nn12.
What is the InChIKey of 4-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pentan-1-ol?
The InChIKey is XHPYWJSJIJANSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-8(2)6-10(7-18)13-11-4-5-12-15-14-9(3)17(12)16-11/h4-5,8,10,18H,6-7H2,1-3H3,(H,13,16).
What are the key properties of 4-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pentan-1-ol?
4-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pentan-1-ol has a molecular weight of 249.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pentan-1-ol is sourced from PubChem (CID 71870907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).