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

C15H16N8OS — CID 71810957

IUPACN-(1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(Nc1nccs1)C1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C15H16N8OS/c24-14(19-15-17-5-8-25-15)11-3-6-22(7-4-11)12-1-2-13(21-20-12)23-10-16-9-18-23/h1-2,5,8-11H,3-4,6-7H2,(H,17,19,24)
InChIKeyPCQSTEAECKVZNT-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.37
Rot. Bonds4

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

N-(1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 71810957) has the molecular formula C15H16N8OS and a molecular weight of 356.42 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID71810957
Molecular FormulaC15H16N8OS
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC NameN-(1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(Nc1nccs1)C1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C15H16N8OS/c24-14(19-15-17-5-8-25-15)11-3-6-22(7-4-11)12-1-2-13(21-20-12)23-10-16-9-18-23/h1-2,5,8-11H,3-4,6-7H2,(H,17,19,24)
InChIKeyPCQSTEAECKVZNT-UHFFFAOYSA-N
XLogP1.37
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (CID 71810957) is N-(1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is O=C(Nc1nccs1)C1CCN(c2ccc(-n3cncn3)nn2)CC1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is PCQSTEAECKVZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8OS/c24-14(19-15-17-5-8-25-15)11-3-6-22(7-4-11)12-1-2-13(21-20-12)23-10-16-9-18-23/h1-2,5,8-11H,3-4,6-7H2,(H,17,19,24).
What are the key properties of N-(1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 71810957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).