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

C11H17N5 — CID 103293895

IUPAC3,3-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-amine
SMILESCC(C)(C)C(N)Cc1nnc2cccnn12
InChIInChI=1S/C11H17N5/c1-11(2,3)8(12)7-10-15-14-9-5-4-6-13-16(9)10/h4-6,8H,7,12H2,1-3H3
InChIKeyQBRHYZQLQXWTAP-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.04
Rot. Bonds2

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

3,3-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-amine (PubChem CID 103293895) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3,3-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-amine
PubChem CID103293895
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3,3-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-amine
SMILESCC(C)(C)C(N)Cc1nnc2cccnn12
InChIInChI=1S/C11H17N5/c1-11(2,3)8(12)7-10-15-14-9-5-4-6-13-16(9)10/h4-6,8H,7,12H2,1-3H3
InChIKeyQBRHYZQLQXWTAP-UHFFFAOYSA-N
XLogP1.04
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 89233361
methyl 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetate
CID 103294346
N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine
CID 103294067
2-methoxy-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine
CID 103293868
3-iodo-[1,2,4]triazolo[4,3-b]pyridazine
CID 83382808
1-(1,4-dimethylpiperazin-2-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine
CID 167819063
N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
CID 127008794
N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;ethane
CID 91609797
[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
CID 12606980
2,3-ditert-butylimidazo[1,2-b]pyridazine
CID 71288892
4-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazol-2-amine
CID 103293858
N-ethyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
CID 103294075

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-amine?
The IUPAC name of 3,3-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-amine (CID 103293895) is 3,3-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-amine is CC(C)(C)C(N)Cc1nnc2cccnn12.
What is the InChIKey of 3,3-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-amine?
The InChIKey is QBRHYZQLQXWTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-11(2,3)8(12)7-10-15-14-9-5-4-6-13-16(9)10/h4-6,8H,7,12H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-amine?
3,3-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-amine is sourced from PubChem (CID 103293895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).