2-cyclohexyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide

C19H21N5O — CID 7532286

IUPAC2-cyclohexyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESO=C(CC1CCCCC1)Nc1ccc(-c2ccc3nncn3n2)cc1
InChIInChI=1S/C19H21N5O/c25-19(12-14-4-2-1-3-5-14)21-16-8-6-15(7-9-16)17-10-11-18-22-20-13-24(18)23-17/h6-11,13-14H,1-5,12H2,(H,21,25)
InChIKeyAFCPIOOMJCPMAW-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.70
Rot. Bonds4

About 2-cyclohexyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide

2-cyclohexyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (PubChem CID 7532286) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-cyclohexyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
PubChem CID7532286
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-cyclohexyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESO=C(CC1CCCCC1)Nc1ccc(-c2ccc3nncn3n2)cc1
InChIInChI=1S/C19H21N5O/c25-19(12-14-4-2-1-3-5-14)21-16-8-6-15(7-9-16)17-10-11-18-22-20-13-24(18)23-17/h6-11,13-14H,1-5,12H2,(H,21,25)
InChIKeyAFCPIOOMJCPMAW-UHFFFAOYSA-N
XLogP3.70
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (CID 7532286) is 2-cyclohexyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is O=C(CC1CCCCC1)Nc1ccc(-c2ccc3nncn3n2)cc1.
What is the InChIKey of 2-cyclohexyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The InChIKey is AFCPIOOMJCPMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-19(12-14-4-2-1-3-5-14)21-16-8-6-15(7-9-16)17-10-11-18-22-20-13-24(18)23-17/h6-11,13-14H,1-5,12H2,(H,21,25).
What are the key properties of 2-cyclohexyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
2-cyclohexyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 7532286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).