1H-triazolo[1,2-a]pyridazine

C6H7N3 — CID 67937450

IUPAC1H-triazolo[1,2-a]pyridazine
SMILESC1=CN2C=CNN2C=C1
InChIInChI=1S/C6H7N3/c1-2-5-9-7-3-6-8(9)4-1/h1-7H
InChIKeyCLBNGIHVBUGHTA-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.54
Rot. Bonds

About 1H-triazolo[1,2-a]pyridazine

1H-triazolo[1,2-a]pyridazine (PubChem CID 67937450) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 1H-triazolo[1,2-a]pyridazine.

Molecular Properties

Compound Name1H-triazolo[1,2-a]pyridazine
PubChem CID67937450
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name1H-triazolo[1,2-a]pyridazine
SMILESC1=CN2C=CNN2C=C1
InChIInChI=1S/C6H7N3/c1-2-5-9-7-3-6-8(9)4-1/h1-7H
InChIKeyCLBNGIHVBUGHTA-UHFFFAOYSA-N
XLogP0.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-triazolo[1,2-a]pyridazine?
The IUPAC name of 1H-triazolo[1,2-a]pyridazine (CID 67937450) is 1H-triazolo[1,2-a]pyridazine.
What is the SMILES notation for 1H-triazolo[1,2-a]pyridazine?
The canonical SMILES for 1H-triazolo[1,2-a]pyridazine is C1=CN2C=CNN2C=C1.
What is the InChIKey of 1H-triazolo[1,2-a]pyridazine?
The InChIKey is CLBNGIHVBUGHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-2-5-9-7-3-6-8(9)4-1/h1-7H.
What are the key properties of 1H-triazolo[1,2-a]pyridazine?
1H-triazolo[1,2-a]pyridazine has a molecular weight of 121.14 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-triazolo[1,2-a]pyridazine is sourced from PubChem (CID 67937450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).