N,N-diethyl-2-[3-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]acetamide

C14H16N6OS — CID 90009278

IUPACN,N-diethyl-2-[3-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]acetamide
SMILESCCN(CC)C(=O)Cc1ccc2nnc(-c3nccs3)n2n1
InChIInChI=1S/C14H16N6OS/c1-3-19(4-2)12(21)9-10-5-6-11-16-17-13(20(11)18-10)14-15-7-8-22-14/h5-8H,3-4,9H2,1-2H3
InChIKeyMQGZPDGPJBWCQD-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.66
Rot. Bonds5

About N,N-diethyl-2-[3-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]acetamide

N,N-diethyl-2-[3-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]acetamide (PubChem CID 90009278) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is N,N-diethyl-2-[3-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]acetamide
PubChem CID90009278
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC NameN,N-diethyl-2-[3-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]acetamide
SMILESCCN(CC)C(=O)Cc1ccc2nnc(-c3nccs3)n2n1
InChIInChI=1S/C14H16N6OS/c1-3-19(4-2)12(21)9-10-5-6-11-16-17-13(20(11)18-10)14-15-7-8-22-14/h5-8H,3-4,9H2,1-2H3
InChIKeyMQGZPDGPJBWCQD-UHFFFAOYSA-N
XLogP1.66
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[3-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]acetamide (CID 90009278) is N,N-diethyl-2-[3-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[3-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[3-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]acetamide is CCN(CC)C(=O)Cc1ccc2nnc(-c3nccs3)n2n1.
What is the InChIKey of N,N-diethyl-2-[3-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]acetamide?
The InChIKey is MQGZPDGPJBWCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS/c1-3-19(4-2)12(21)9-10-5-6-11-16-17-13(20(11)18-10)14-15-7-8-22-14/h5-8H,3-4,9H2,1-2H3.
What are the key properties of N,N-diethyl-2-[3-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]acetamide?
N,N-diethyl-2-[3-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]acetamide has a molecular weight of 316.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]acetamide is sourced from PubChem (CID 90009278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).