7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

C5H6N4 — CID 12622435

IUPAC7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESC1=Nn2cnnc2CC1
InChIInChI=1S/C5H6N4/c1-2-5-8-6-4-9(5)7-3-1/h3-4H,1-2H2
InChIKeyNFMWAIXSRUDCQB-UHFFFAOYSA-N
MW122.13 g/mol
LogP0.06
Rot. Bonds

About 7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 12622435) has the molecular formula C5H6N4 and a molecular weight of 122.13 g/mol. Its IUPAC name is 7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID12622435
Molecular FormulaC5H6N4
Molecular Weight122.13 g/mol
Exact Mass122.06
IUPAC Name7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESC1=Nn2cnnc2CC1
InChIInChI=1S/C5H6N4/c1-2-5-8-6-4-9(5)7-3-1/h3-4H,1-2H2
InChIKeyNFMWAIXSRUDCQB-UHFFFAOYSA-N
XLogP0.06
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (CID 12622435) is 7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is C1=Nn2cnnc2CC1.
What is the InChIKey of 7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is NFMWAIXSRUDCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4/c1-2-5-8-6-4-9(5)7-3-1/h3-4H,1-2H2.
What are the key properties of 7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 122.13 g/mol, XLogP of 0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 12622435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).