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

C15H17N7OS — CID 29132867

IUPACN-(4-methyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)n1
InChIInChI=1S/C15H17N7OS/c1-10-8-24-15(17-10)18-14(23)11-4-6-21(7-5-11)13-3-2-12-19-16-9-22(12)20-13/h2-3,8-9,11H,4-7H2,1H3,(H,17,18,23)
InChIKeyHRYCQRPKCMCDHC-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.74
Rot. Bonds3

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

N-(4-methyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 29132867) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID29132867
Molecular FormulaC15H17N7OS
Molecular Weight343.42 g/mol
Exact Mass343.12
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)n1
InChIInChI=1S/C15H17N7OS/c1-10-8-24-15(17-10)18-14(23)11-4-6-21(7-5-11)13-3-2-12-19-16-9-22(12)20-13/h2-3,8-9,11H,4-7H2,1H3,(H,17,18,23)
InChIKeyHRYCQRPKCMCDHC-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 N-(4-methyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 29132867) is N-(4-methyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is Cc1csc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is HRYCQRPKCMCDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS/c1-10-8-24-15(17-10)18-14(23)11-4-6-21(7-5-11)13-3-2-12-19-16-9-22(12)20-13/h2-3,8-9,11H,4-7H2,1H3,(H,17,18,23).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-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 N-(4-methyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 29132867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).