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

C10H16ClN5O — CID 3054120

IUPAC1-[methyl-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-2-ol;hydrochloride
SMILESCc1nnc2ccc(N(C)CC(C)O)nn12.Cl
InChIInChI=1S/C10H15N5O.ClH/c1-7(16)6-14(3)10-5-4-9-12-11-8(2)15(9)13-10;/h4-5,7,16H,6H2,1-3H3;1H
InChIKeyRJCBIKVCHSFQFK-UHFFFAOYSA-N
MW257.73 g/mol
LogP0.67
Rot. Bonds3

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

1-[methyl-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-2-ol;hydrochloride (PubChem CID 3054120) has the molecular formula C10H16ClN5O and a molecular weight of 257.73 g/mol. Its IUPAC name is 1-[methyl-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[methyl-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-2-ol;hydrochloride
PubChem CID3054120
Molecular FormulaC10H16ClN5O
Molecular Weight257.73 g/mol
Exact Mass257.10
IUPAC Name1-[methyl-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-2-ol;hydrochloride
SMILESCc1nnc2ccc(N(C)CC(C)O)nn12.Cl
InChIInChI=1S/C10H15N5O.ClH/c1-7(16)6-14(3)10-5-4-9-12-11-8(2)15(9)13-10;/h4-5,7,16H,6H2,1-3H3;1H
InChIKeyRJCBIKVCHSFQFK-UHFFFAOYSA-N
XLogP0.67
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.73
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-(Heptafluoropropyl)-6-(morpholin-4-yl)[1,2,4]triazolo[4,3-b]pyridazine
CID 607388
1,2,4-Triazolo(4,3-b)pyridazine, 3-methyl-6-(4-morpholinyl)-
CID 869626
3-Methyl-6-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
3-Methyl-6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazine
CID 869844
1,2,4-Triazolo(4,3-b)pyridazine, 3,8-dimethyl-6-(4-morpholinyl)-
CID 3043941
4-[3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine
CID 692461
4-{[1,2,4]Triazolo[4,3-B]pyridazin-6-YL}morpholine
CID 2807620
(6-Chloro-(1,2,4)triazolo(4,3-b)pyridazin-3-yl)methanol
CID 50990671
3-Methyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869594
1-{3-Ethyl-[1,2,4]triazolo[4,3-B]pyridazin-6-YL}-4-methylpiperazine
CID 53016938
2-((3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino)ethan-1-ol
CID 607348
Ethanol, 2-(3-pentafluorroethyl-1,2,4-triazolo[4,3-b]pyridazin-6-ylamino)-
CID 618905

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-2-ol;hydrochloride?
The IUPAC name of 1-[methyl-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-2-ol;hydrochloride (CID 3054120) is 1-[methyl-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[methyl-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[methyl-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-2-ol;hydrochloride is Cc1nnc2ccc(N(C)CC(C)O)nn12.Cl.
What is the InChIKey of 1-[methyl-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-2-ol;hydrochloride?
The InChIKey is RJCBIKVCHSFQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O.ClH/c1-7(16)6-14(3)10-5-4-9-12-11-8(2)15(9)13-10;/h4-5,7,16H,6H2,1-3H3;1H.
What are the key properties of 1-[methyl-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-2-ol;hydrochloride?
1-[methyl-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-2-ol;hydrochloride has a molecular weight of 257.73 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-2-ol;hydrochloride is sourced from PubChem (CID 3054120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).