3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C16H20N8 — CID 133294975

IUPAC3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nc2n(n1)CC(Nc1ccc3nnc(C4CC4)n3n1)CC2
InChIInChI=1S/C16H20N8/c1-2-12-18-14-7-5-11(9-23(14)21-12)17-13-6-8-15-19-20-16(10-3-4-10)24(15)22-13/h6,8,10-11H,2-5,7,9H2,1H3,(H,17,22)
InChIKeyOBTKHIUXRKKMGI-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.58
Rot. Bonds4

About 3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133294975) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133294975
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nc2n(n1)CC(Nc1ccc3nnc(C4CC4)n3n1)CC2
InChIInChI=1S/C16H20N8/c1-2-12-18-14-7-5-11(9-23(14)21-12)17-13-6-8-15-19-20-16(10-3-4-10)24(15)22-13/h6,8,10-11H,2-5,7,9H2,1H3,(H,17,22)
InChIKeyOBTKHIUXRKKMGI-UHFFFAOYSA-N
XLogP1.58
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133294975) is 3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCc1nc2n(n1)CC(Nc1ccc3nnc(C4CC4)n3n1)CC2.
What is the InChIKey of 3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is OBTKHIUXRKKMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c1-2-12-18-14-7-5-11(9-23(14)21-12)17-13-6-8-15-19-20-16(10-3-4-10)24(15)22-13/h6,8,10-11H,2-5,7,9H2,1H3,(H,17,22).
What are the key properties of 3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 324.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133294975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).