5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1H-1,2,4-triazol-3-amine

C8H8N8 — CID 62792687

IUPAC5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1H-1,2,4-triazol-3-amine
SMILESCc1ccc2nnc(-c3nc(N)n[nH]3)n2n1
InChIInChI=1S/C8H8N8/c1-4-2-3-5-11-13-7(16(5)15-4)6-10-8(9)14-12-6/h2-3H,1H3,(H3,9,10,12,14)
InChIKeyXMVAWKOSXPRIOD-UHFFFAOYSA-N
MW216.21 g/mol
LogP-0.20
Rot. Bonds1

About 5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1H-1,2,4-triazol-3-amine

5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 62792687) has the molecular formula C8H8N8 and a molecular weight of 216.21 g/mol. Its IUPAC name is 5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1H-1,2,4-triazol-3-amine
PubChem CID62792687
Molecular FormulaC8H8N8
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1H-1,2,4-triazol-3-amine
SMILESCc1ccc2nnc(-c3nc(N)n[nH]3)n2n1
InChIInChI=1S/C8H8N8/c1-4-2-3-5-11-13-7(16(5)15-4)6-10-8(9)14-12-6/h2-3H,1H3,(H3,9,10,12,14)
InChIKeyXMVAWKOSXPRIOD-UHFFFAOYSA-N
XLogP-0.20
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1H-1,2,4-triazol-3-amine (CID 62792687) is 5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1H-1,2,4-triazol-3-amine is Cc1ccc2nnc(-c3nc(N)n[nH]3)n2n1.
What is the InChIKey of 5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is XMVAWKOSXPRIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N8/c1-4-2-3-5-11-13-7(16(5)15-4)6-10-8(9)14-12-6/h2-3H,1H3,(H3,9,10,12,14).
What are the key properties of 5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1H-1,2,4-triazol-3-amine?
5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 216.21 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 62792687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).