N-(2-thiophen-2-ylethyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide

C13H12N6OS — CID 71805171

IUPACN-(2-thiophen-2-ylethyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESO=C(NCCc1cccs1)c1ccc(-n2cncn2)nn1
InChIInChI=1S/C13H12N6OS/c20-13(15-6-5-10-2-1-7-21-10)11-3-4-12(18-17-11)19-9-14-8-16-19/h1-4,7-9H,5-6H2,(H,15,20)
InChIKeyVHSJHKIMJGNLLN-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.09
Rot. Bonds5

About N-(2-thiophen-2-ylethyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide

N-(2-thiophen-2-ylethyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (PubChem CID 71805171) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
PubChem CID71805171
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC NameN-(2-thiophen-2-ylethyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESO=C(NCCc1cccs1)c1ccc(-n2cncn2)nn1
InChIInChI=1S/C13H12N6OS/c20-13(15-6-5-10-2-1-7-21-10)11-3-4-12(18-17-11)19-9-14-8-16-19/h1-4,7-9H,5-6H2,(H,15,20)
InChIKeyVHSJHKIMJGNLLN-UHFFFAOYSA-N
XLogP1.09
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-(2-thienylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256185
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 7708113
N-propyl-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2057536
(S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)thiophene-2-carboxamide
CID 7711096
N-isopropyl-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1101953
N-(cyanomethyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1917972
7-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2545222
3-thiophen-2-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 39997425
N-[(4-fluorophenyl)methyl]-8-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 134791848
8-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 134792120
8-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 134795902
6-Methyl-4-(pyrrolidin-1-YL)-N-[2-(thiophen-2-YL)ethyl]pyrazolo[1,5-A]pyrazine-2-carboxamide
CID 91891303

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (CID 71805171) is N-(2-thiophen-2-ylethyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is O=C(NCCc1cccs1)c1ccc(-n2cncn2)nn1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The InChIKey is VHSJHKIMJGNLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c20-13(15-6-5-10-2-1-7-21-10)11-3-4-12(18-17-11)19-9-14-8-16-19/h1-4,7-9H,5-6H2,(H,15,20).
What are the key properties of N-(2-thiophen-2-ylethyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
N-(2-thiophen-2-ylethyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 71805171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).