N-(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-2-ethylbutanamide

C12H16ClN5O — CID 142345363

IUPACN-(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cc(Cl)nn2c(C)nnc12
InChIInChI=1S/C12H16ClN5O/c1-4-8(5-2)12(19)14-9-6-10(13)17-18-7(3)15-16-11(9)18/h6,8H,4-5H2,1-3H3,(H,14,19)
InChIKeyFIMZGTAEVCTFCD-UHFFFAOYSA-N
MW281.75 g/mol
LogP2.46
Rot. Bonds4

About N-(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-2-ethylbutanamide

N-(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-2-ethylbutanamide (PubChem CID 142345363) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is N-(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-2-ethylbutanamide
PubChem CID142345363
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC NameN-(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cc(Cl)nn2c(C)nnc12
InChIInChI=1S/C12H16ClN5O/c1-4-8(5-2)12(19)14-9-6-10(13)17-18-7(3)15-16-11(9)18/h6,8H,4-5H2,1-3H3,(H,14,19)
InChIKeyFIMZGTAEVCTFCD-UHFFFAOYSA-N
XLogP2.46
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-2-ethylbutanamide?
The IUPAC name of N-(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-2-ethylbutanamide (CID 142345363) is N-(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-2-ethylbutanamide.
What is the SMILES notation for N-(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-2-ethylbutanamide?
The canonical SMILES for N-(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1cc(Cl)nn2c(C)nnc12.
What is the InChIKey of N-(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-2-ethylbutanamide?
The InChIKey is FIMZGTAEVCTFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-4-8(5-2)12(19)14-9-6-10(13)17-18-7(3)15-16-11(9)18/h6,8H,4-5H2,1-3H3,(H,14,19).
What are the key properties of N-(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-2-ethylbutanamide?
N-(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-2-ethylbutanamide has a molecular weight of 281.75 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-2-ethylbutanamide is sourced from PubChem (CID 142345363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).