3-ethyl-6-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyridazine

C13H13N5S — CID 104670903

IUPAC3-ethyl-6-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyridazine
SMILESCCc1nnc(C)cc1-c1n[nH]c(-c2cccs2)n1
InChIInChI=1S/C13H13N5S/c1-3-10-9(7-8(2)15-16-10)12-14-13(18-17-12)11-5-4-6-19-11/h4-7H,3H2,1-2H3,(H,14,17,18)
InChIKeyLRJAQLPVKXRFPU-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.86
Rot. Bonds3

About 3-ethyl-6-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyridazine

3-ethyl-6-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyridazine (PubChem CID 104670903) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-ethyl-6-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyridazine.

Molecular Properties

Compound Name3-ethyl-6-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyridazine
PubChem CID104670903
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name3-ethyl-6-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyridazine
SMILESCCc1nnc(C)cc1-c1n[nH]c(-c2cccs2)n1
InChIInChI=1S/C13H13N5S/c1-3-10-9(7-8(2)15-16-10)12-14-13(18-17-12)11-5-4-6-19-11/h4-7H,3H2,1-2H3,(H,14,17,18)
InChIKeyLRJAQLPVKXRFPU-UHFFFAOYSA-N
XLogP2.86
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)aniline
CID 63654751
3-(3,4-dimethylphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 62732820
2-methyl-5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazine
CID 62735073
3-(2,5-dichlorophenyl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 63548676
4-iodo-2-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)aniline
CID 63111672
3-(4-bromo-2-methoxyphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 115369525
5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine
CID 62794401
3-(1-methylimidazol-4-yl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 107972890
3-thieno[3,2-b]thiophen-5-yl-5-thiophen-2-yl-1H-1,2,4-triazole
CID 80745099
2-amino-6-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)phenol
CID 136980121
3,6-dimethyl-2-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)benzoic acid
CID 103431016
3-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine
CID 79391458

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyridazine?
The IUPAC name of 3-ethyl-6-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyridazine (CID 104670903) is 3-ethyl-6-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyridazine.
What is the SMILES notation for 3-ethyl-6-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyridazine?
The canonical SMILES for 3-ethyl-6-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyridazine is CCc1nnc(C)cc1-c1n[nH]c(-c2cccs2)n1.
What is the InChIKey of 3-ethyl-6-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyridazine?
The InChIKey is LRJAQLPVKXRFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-3-10-9(7-8(2)15-16-10)12-14-13(18-17-12)11-5-4-6-19-11/h4-7H,3H2,1-2H3,(H,14,17,18).
What are the key properties of 3-ethyl-6-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyridazine?
3-ethyl-6-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyridazine has a molecular weight of 271.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyridazine is sourced from PubChem (CID 104670903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).