5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

C5H6N4 — CID 145064551

IUPAC5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESC1=Cc2nncn2NC1
InChIInChI=1S/C5H6N4/c1-2-5-8-6-4-9(5)7-3-1/h1-2,4,7H,3H2
InChIKeyVVIUJCVTDUZNOX-UHFFFAOYSA-N
MW122.13 g/mol
LogP-0.15
Rot. Bonds

About 5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 145064551) has the molecular formula C5H6N4 and a molecular weight of 122.13 g/mol. Its IUPAC name is 5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID145064551
Molecular FormulaC5H6N4
Molecular Weight122.13 g/mol
Exact Mass122.06
IUPAC Name5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESC1=Cc2nncn2NC1
InChIInChI=1S/C5H6N4/c1-2-5-8-6-4-9(5)7-3-1/h1-2,4,7H,3H2
InChIKeyVVIUJCVTDUZNOX-UHFFFAOYSA-N
XLogP-0.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Stk741258
CID 931370
5-Ethenyl-1H-1,2,4-triazole
CID 19004185
5-[(E)-3-fluoroprop-1-enyl]-1H-1,2,4-triazole
CID 88290905
5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole
CID 67571187
3-Chloro-5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
CID 12248343
[1,2,4]Triazolo[1,5-b]pyridazine-6-thiol
CID 17996065
7,8-Dimethyl-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazine
CID 21853774
5-ethenyl-1H-1,2,4-triazol-4-ium
CID 60052707
5-prop-1-enyl-1H-1,2,4-triazole
CID 67571821
3-(4H-1,2,4-Triazol-3-YL)acrylonitrile
CID 67677726
5-[(E)-prop-1-enyl]-1H-1,2,4-triazole
CID 87792768
5-[(1Z,3Z)-penta-1,3-dienyl]-1H-1,2,4-triazole
CID 122674395

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (CID 145064551) is 5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is C1=Cc2nncn2NC1.
What is the InChIKey of 5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is VVIUJCVTDUZNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4/c1-2-5-8-6-4-9(5)7-3-1/h1-2,4,7H,3H2.
What are the key properties of 5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 122.13 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 145064551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).