5-[(1S,2S)-2-[5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpyrazol-3-yl]cyclopropyl]-2-methyl-1,3-thiazole

C18H19N7S — CID 178158789

IUPAC5-[(1S,2S)-2-[5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpyrazol-3-yl]cyclopropyl]-2-methyl-1,3-thiazole
SMILESCc1ncc([C@H]2C[C@@H]2c2cc(-c3cc(C)c4nnc(C)n4n3)n(C)n2)s1
InChIInChI=1S/C18H19N7S/c1-9-5-15(23-25-10(2)20-21-18(9)25)16-7-14(22-24(16)4)12-6-13(12)17-8-19-11(3)26-17/h5,7-8,12-13H,6H2,1-4H3/t12-,13-/m0/s1
InChIKeyHUASGVHFKVCVJH-STQMWFEESA-N
MW365.47 g/mol
LogP3.18
Rot. Bonds3

About 5-[(1S,2S)-2-[5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpyrazol-3-yl]cyclopropyl]-2-methyl-1,3-thiazole

5-[(1S,2S)-2-[5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpyrazol-3-yl]cyclopropyl]-2-methyl-1,3-thiazole (PubChem CID 178158789) has the molecular formula C18H19N7S and a molecular weight of 365.47 g/mol. Its IUPAC name is 5-[(1S,2S)-2-[5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpyrazol-3-yl]cyclopropyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(1S,2S)-2-[5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpyrazol-3-yl]cyclopropyl]-2-methyl-1,3-thiazole
PubChem CID178158789
Molecular FormulaC18H19N7S
Molecular Weight365.47 g/mol
Exact Mass365.14
IUPAC Name5-[(1S,2S)-2-[5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpyrazol-3-yl]cyclopropyl]-2-methyl-1,3-thiazole
SMILESCc1ncc([C@H]2C[C@@H]2c2cc(-c3cc(C)c4nnc(C)n4n3)n(C)n2)s1
InChIInChI=1S/C18H19N7S/c1-9-5-15(23-25-10(2)20-21-18(9)25)16-7-14(22-24(16)4)12-6-13(12)17-8-19-11(3)26-17/h5,7-8,12-13H,6H2,1-4H3/t12-,13-/m0/s1
InChIKeyHUASGVHFKVCVJH-STQMWFEESA-N
XLogP3.18
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(1S,2S)-2-[5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpyrazol-3-yl]cyclopropyl]-2-methyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2S)-2-[5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpyrazol-3-yl]cyclopropyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[(1S,2S)-2-[5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpyrazol-3-yl]cyclopropyl]-2-methyl-1,3-thiazole (CID 178158789) is 5-[(1S,2S)-2-[5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpyrazol-3-yl]cyclopropyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(1S,2S)-2-[5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpyrazol-3-yl]cyclopropyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[(1S,2S)-2-[5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpyrazol-3-yl]cyclopropyl]-2-methyl-1,3-thiazole is Cc1ncc([C@H]2C[C@@H]2c2cc(-c3cc(C)c4nnc(C)n4n3)n(C)n2)s1.
What is the InChIKey of 5-[(1S,2S)-2-[5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpyrazol-3-yl]cyclopropyl]-2-methyl-1,3-thiazole?
The InChIKey is HUASGVHFKVCVJH-STQMWFEESA-N. The full InChI is InChI=1S/C18H19N7S/c1-9-5-15(23-25-10(2)20-21-18(9)25)16-7-14(22-24(16)4)12-6-13(12)17-8-19-11(3)26-17/h5,7-8,12-13H,6H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of 5-[(1S,2S)-2-[5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpyrazol-3-yl]cyclopropyl]-2-methyl-1,3-thiazole?
5-[(1S,2S)-2-[5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpyrazol-3-yl]cyclopropyl]-2-methyl-1,3-thiazole has a molecular weight of 365.47 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2S)-2-[5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpyrazol-3-yl]cyclopropyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 178158789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).