4-(2-ethyl-1,2,4-triazol-3-yl)pyridazine

C8H9N5 — CID 91361971

IUPAC4-(2-ethyl-1,2,4-triazol-3-yl)pyridazine
SMILESCCn1ncnc1-c1ccnnc1
InChIInChI=1S/C8H9N5/c1-2-13-8(9-6-12-13)7-3-4-10-11-5-7/h3-6H,2H2,1H3
InChIKeyAJEICOXWTZTMMP-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.75
Rot. Bonds2

About 4-(2-ethyl-1,2,4-triazol-3-yl)pyridazine

4-(2-ethyl-1,2,4-triazol-3-yl)pyridazine (PubChem CID 91361971) has the molecular formula C8H9N5 and a molecular weight of 175.20 g/mol. Its IUPAC name is 4-(2-ethyl-1,2,4-triazol-3-yl)pyridazine.

Molecular Properties

Compound Name4-(2-ethyl-1,2,4-triazol-3-yl)pyridazine
PubChem CID91361971
Molecular FormulaC8H9N5
Molecular Weight175.20 g/mol
Exact Mass175.09
IUPAC Name4-(2-ethyl-1,2,4-triazol-3-yl)pyridazine
SMILESCCn1ncnc1-c1ccnnc1
InChIInChI=1S/C8H9N5/c1-2-13-8(9-6-12-13)7-3-4-10-11-5-7/h3-6H,2H2,1H3
InChIKeyAJEICOXWTZTMMP-UHFFFAOYSA-N
XLogP0.75
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-1,2,4-triazol-3-yl)pyridazine?
The IUPAC name of 4-(2-ethyl-1,2,4-triazol-3-yl)pyridazine (CID 91361971) is 4-(2-ethyl-1,2,4-triazol-3-yl)pyridazine.
What is the SMILES notation for 4-(2-ethyl-1,2,4-triazol-3-yl)pyridazine?
The canonical SMILES for 4-(2-ethyl-1,2,4-triazol-3-yl)pyridazine is CCn1ncnc1-c1ccnnc1.
What is the InChIKey of 4-(2-ethyl-1,2,4-triazol-3-yl)pyridazine?
The InChIKey is AJEICOXWTZTMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-2-13-8(9-6-12-13)7-3-4-10-11-5-7/h3-6H,2H2,1H3.
What are the key properties of 4-(2-ethyl-1,2,4-triazol-3-yl)pyridazine?
4-(2-ethyl-1,2,4-triazol-3-yl)pyridazine has a molecular weight of 175.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-1,2,4-triazol-3-yl)pyridazine is sourced from PubChem (CID 91361971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).