3-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C10H15N5 — CID 53016918

IUPAC3-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NCC(C)C)nn12
InChIInChI=1S/C10H15N5/c1-7(2)6-11-9-4-5-10-13-12-8(3)15(10)14-9/h4-5,7H,6H2,1-3H3,(H,11,14)
InChIKeyBYYRSKNUXFGVJL-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.50
Rot. Bonds3

About 3-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 53016918) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID53016918
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name3-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NCC(C)C)nn12
InChIInChI=1S/C10H15N5/c1-7(2)6-11-9-4-5-10-13-12-8(3)15(10)14-9/h4-5,7H,6H2,1-3H3,(H,11,14)
InChIKeyBYYRSKNUXFGVJL-UHFFFAOYSA-N
XLogP1.50
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 53016918) is 3-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1nnc2ccc(NCC(C)C)nn12.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is BYYRSKNUXFGVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-7(2)6-11-9-4-5-10-13-12-8(3)15(10)14-9/h4-5,7H,6H2,1-3H3,(H,11,14).
What are the key properties of 3-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 205.26 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 53016918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).