1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C17H21N7OS — CID 42654945

IUPAC1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCC(C)c1nnc2ccc(N3CCCC(C(=O)Nc4nccs4)C3)nn12
InChIInChI=1S/C17H21N7OS/c1-11(2)15-21-20-13-5-6-14(22-24(13)15)23-8-3-4-12(10-23)16(25)19-17-18-7-9-26-17/h5-7,9,11-12H,3-4,8,10H2,1-2H3,(H,18,19,25)
InChIKeyBSGBTYKMPLSTGK-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.56
Rot. Bonds4

About 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 42654945) has the molecular formula C17H21N7OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID42654945
Molecular FormulaC17H21N7OS
Molecular Weight371.47 g/mol
Exact Mass371.15
IUPAC Name1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCC(C)c1nnc2ccc(N3CCCC(C(=O)Nc4nccs4)C3)nn12
InChIInChI=1S/C17H21N7OS/c1-11(2)15-21-20-13-5-6-14(22-24(13)15)23-8-3-4-12(10-23)16(25)19-17-18-7-9-26-17/h5-7,9,11-12H,3-4,8,10H2,1-2H3,(H,18,19,25)
InChIKeyBSGBTYKMPLSTGK-UHFFFAOYSA-N
XLogP2.56
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 42654945) is 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is CC(C)c1nnc2ccc(N3CCCC(C(=O)Nc4nccs4)C3)nn12.
What is the InChIKey of 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is BSGBTYKMPLSTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7OS/c1-11(2)15-21-20-13-5-6-14(22-24(13)15)23-8-3-4-12(10-23)16(25)19-17-18-7-9-26-17/h5-7,9,11-12H,3-4,8,10H2,1-2H3,(H,18,19,25).
What are the key properties of 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 42654945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).