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

C9H13N5 — CID 127008794

IUPACN-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
SMILESCNCC(C)c1nnc2cccnn12
InChIInChI=1S/C9H13N5/c1-7(6-10-2)9-13-12-8-4-3-5-11-14(8)9/h3-5,7,10H,6H2,1-2H3
InChIKeyGFMXTNBERZDEQG-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.45
Rot. Bonds3

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

N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine (PubChem CID 127008794) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
PubChem CID127008794
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC NameN-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
SMILESCNCC(C)c1nnc2cccnn12
InChIInChI=1S/C9H13N5/c1-7(6-10-2)9-13-12-8-4-3-5-11-14(8)9/h3-5,7,10H,6H2,1-2H3
InChIKeyGFMXTNBERZDEQG-UHFFFAOYSA-N
XLogP0.45
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
CID 103294075
N-methyl-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-1-amine
CID 131052358
N-methyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine
CID 130965197
N-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
CID 83387647
6-[1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline
CID 141206075
3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 89233361
3-iodo-[1,2,4]triazolo[4,3-b]pyridazine
CID 83382808
N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;ethane
CID 91609797
3,3-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-amine
CID 103293895
methyl 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetate
CID 103294346
N-methyl-2-(2-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 105439687
N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine
CID 103294067

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine?
The IUPAC name of N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine (CID 127008794) is N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine is CNCC(C)c1nnc2cccnn12.
What is the InChIKey of N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine?
The InChIKey is GFMXTNBERZDEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-7(6-10-2)9-13-12-8-4-3-5-11-14(8)9/h3-5,7,10H,6H2,1-2H3.
What are the key properties of N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine?
N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine has a molecular weight of 191.24 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine is sourced from PubChem (CID 127008794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).