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

C11H17N5 — CID 62041295

IUPAC2,2-dimethyl-1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
SMILESCc1ccc2nnc(C(N)C(C)(C)C)n2n1
InChIInChI=1S/C11H17N5/c1-7-5-6-8-13-14-10(16(8)15-7)9(12)11(2,3)4/h5-6,9H,12H2,1-4H3
InChIKeyJOFJLGSMBLDMFE-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.48
Rot. Bonds1

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

2,2-dimethyl-1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine (PubChem CID 62041295) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2,2-dimethyl-1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
PubChem CID62041295
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name2,2-dimethyl-1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
SMILESCc1ccc2nnc(C(N)C(C)(C)C)n2n1
InChIInChI=1S/C11H17N5/c1-7-5-6-8-13-14-10(16(8)15-7)9(12)11(2,3)4/h5-6,9H,12H2,1-4H3
InChIKeyJOFJLGSMBLDMFE-UHFFFAOYSA-N
XLogP1.48
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine (CID 62041295) is 2,2-dimethyl-1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine is Cc1ccc2nnc(C(N)C(C)(C)C)n2n1.
What is the InChIKey of 2,2-dimethyl-1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine?
The InChIKey is JOFJLGSMBLDMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-7-5-6-8-13-14-10(16(8)15-7)9(12)11(2,3)4/h5-6,9H,12H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine?
2,2-dimethyl-1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine has a molecular weight of 219.29 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine is sourced from PubChem (CID 62041295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).