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

C8H8N4 — CID 158504420

IUPAC6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cc2nncn2nc1C1CC1
InChIInChI=1S/C8H8N4/c1-2-6(1)7-3-4-8-10-9-5-12(8)11-7/h3-6H,1-2H2
InChIKeyHKHISABPMPLXNX-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.00
Rot. Bonds1

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

6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 158504420) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID158504420
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cc2nncn2nc1C1CC1
InChIInChI=1S/C8H8N4/c1-2-6(1)7-3-4-8-10-9-5-12(8)11-7/h3-6H,1-2H2
InChIKeyHKHISABPMPLXNX-UHFFFAOYSA-N
XLogP1.00
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Phd-1-IN-1
CID 122540724
5-Methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2295889
6,8-Dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 683683
8-Methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 3808800
3-Methyl-6-phenyl[1,2,4]triazolo[4,3-b]pyridazine
CID 12726814
6-(3-Trifluoromethyl-phenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 12726830
US10287286, Example 4
CID 122540392
US10287286, Example 18
CID 122540750
5-Methyl-7-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 930473
1,2,4-Triazolo(4,3-b)pyridazine, 6,8-diphenyl-
CID 623397
3-Chloro-6-methyl[1,2,4]triazolo[4,3-b]pyridazine
CID 657805
6-Methyl-8-phenyl[1,2,4]triazolo[4,3-b]pyridazine
CID 760139

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 158504420) is 6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine is c1cc2nncn2nc1C1CC1.
What is the InChIKey of 6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is HKHISABPMPLXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-2-6(1)7-3-4-8-10-9-5-12(8)11-7/h3-6H,1-2H2.
What are the key properties of 6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 160.18 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 158504420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).