1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N,N-dimethylmethanamine

C8H10ClN5 — CID 63189570

IUPAC1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1nnc2ccc(Cl)nn12
InChIInChI=1S/C8H10ClN5/c1-13(2)5-8-11-10-7-4-3-6(9)12-14(7)8/h3-4H,5H2,1-2H3
InChIKeyNWKUCUVRGBAQJK-UHFFFAOYSA-N
MW211.66 g/mol
LogP0.84
Rot. Bonds2

About 1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N,N-dimethylmethanamine

1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N,N-dimethylmethanamine (PubChem CID 63189570) has the molecular formula C8H10ClN5 and a molecular weight of 211.66 g/mol. Its IUPAC name is 1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N,N-dimethylmethanamine
PubChem CID63189570
Molecular FormulaC8H10ClN5
Molecular Weight211.66 g/mol
Exact Mass211.06
IUPAC Name1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1nnc2ccc(Cl)nn12
InChIInChI=1S/C8H10ClN5/c1-13(2)5-8-11-10-7-4-3-6(9)12-14(7)8/h3-4H,5H2,1-2H3
InChIKeyNWKUCUVRGBAQJK-UHFFFAOYSA-N
XLogP0.84
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N,N-dimethylmethanamine (CID 63189570) is 1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N,N-dimethylmethanamine is CN(C)Cc1nnc2ccc(Cl)nn12.
What is the InChIKey of 1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N,N-dimethylmethanamine?
The InChIKey is NWKUCUVRGBAQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5/c1-13(2)5-8-11-10-7-4-3-6(9)12-14(7)8/h3-4H,5H2,1-2H3.
What are the key properties of 1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N,N-dimethylmethanamine?
1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N,N-dimethylmethanamine has a molecular weight of 211.66 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 63189570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).