7-(2-methylbutan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C10H14N4 — CID 154936678

IUPAC7-(2-methylbutan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCC(C)(C)c1cnn2cnnc2c1
InChIInChI=1S/C10H14N4/c1-4-10(2,3)8-5-9-13-11-7-14(9)12-6-8/h5-7H,4H2,1-3H3
InChIKeyJWNVUPNDZLQRER-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.81
Rot. Bonds2

About 7-(2-methylbutan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine

7-(2-methylbutan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 154936678) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 7-(2-methylbutan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name7-(2-methylbutan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID154936678
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name7-(2-methylbutan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCC(C)(C)c1cnn2cnnc2c1
InChIInChI=1S/C10H14N4/c1-4-10(2,3)8-5-9-13-11-7-14(9)12-6-8/h5-7H,4H2,1-3H3
InChIKeyJWNVUPNDZLQRER-UHFFFAOYSA-N
XLogP1.81
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylbutan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 7-(2-methylbutan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 154936678) is 7-(2-methylbutan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 7-(2-methylbutan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 7-(2-methylbutan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine is CCC(C)(C)c1cnn2cnnc2c1.
What is the InChIKey of 7-(2-methylbutan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is JWNVUPNDZLQRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-4-10(2,3)8-5-9-13-11-7-14(9)12-6-8/h5-7H,4H2,1-3H3.
What are the key properties of 7-(2-methylbutan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
7-(2-methylbutan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 190.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylbutan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 154936678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).