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

C15H17N7OS — CID 29132277

IUPAC1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1nnc2ccc(N3CCC(C(=O)Nc4nccs4)CC3)nn12
InChIInChI=1S/C15H17N7OS/c1-10-18-19-12-2-3-13(20-22(10)12)21-7-4-11(5-8-21)14(23)17-15-16-6-9-24-15/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,16,17,23)
InChIKeyWNEWKRWDDPHHIJ-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.74
Rot. Bonds3

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

1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 29132277) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is 1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID29132277
Molecular FormulaC15H17N7OS
Molecular Weight343.42 g/mol
Exact Mass343.12
IUPAC Name1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1nnc2ccc(N3CCC(C(=O)Nc4nccs4)CC3)nn12
InChIInChI=1S/C15H17N7OS/c1-10-18-19-12-2-3-13(20-22(10)12)21-7-4-11(5-8-21)14(23)17-15-16-6-9-24-15/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,16,17,23)
InChIKeyWNEWKRWDDPHHIJ-UHFFFAOYSA-N
XLogP1.74
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 29132277) is 1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1nnc2ccc(N3CCC(C(=O)Nc4nccs4)CC3)nn12.
What is the InChIKey of 1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is WNEWKRWDDPHHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS/c1-10-18-19-12-2-3-13(20-22(10)12)21-7-4-11(5-8-21)14(23)17-15-16-6-9-24-15/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,16,17,23).
What are the key properties of 1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 29132277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).