(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine

C7H9N5 — CID 62043689

IUPAC(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine
SMILESCc1ccc2nnc(CN)n2n1
InChIInChI=1S/C7H9N5/c1-5-2-3-6-9-10-7(4-8)12(6)11-5/h2-3H,4,8H2,1H3
InChIKeyCLNUBFPYCZSOLZ-UHFFFAOYSA-N
MW163.18 g/mol
LogP-0.11
Rot. Bonds1

About (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine

(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine (PubChem CID 62043689) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine.

Molecular Properties

Compound Name(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine
PubChem CID62043689
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine
SMILESCc1ccc2nnc(CN)n2n1
InChIInChI=1S/C7H9N5/c1-5-2-3-6-9-10-7(4-8)12(6)11-5/h2-3H,4,8H2,1H3
InChIKeyCLNUBFPYCZSOLZ-UHFFFAOYSA-N
XLogP-0.11
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine?
The IUPAC name of (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine (CID 62043689) is (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine.
What is the SMILES notation for (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine?
The canonical SMILES for (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine is Cc1ccc2nnc(CN)n2n1.
What is the InChIKey of (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine?
The InChIKey is CLNUBFPYCZSOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-5-2-3-6-9-10-7(4-8)12(6)11-5/h2-3H,4,8H2,1H3.
What are the key properties of (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine?
(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine has a molecular weight of 163.18 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine is sourced from PubChem (CID 62043689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).