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

C18H19N5O — CID 7217821

IUPACN-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2ccc3nncn3n2)cc1)C1CCCCC1
InChIInChI=1S/C18H19N5O/c24-18(14-4-2-1-3-5-14)20-15-8-6-13(7-9-15)16-10-11-17-21-19-12-23(17)22-16/h6-12,14H,1-5H2,(H,20,24)
InChIKeyPTJNIYFHKKUYIF-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.31
Rot. Bonds3

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

N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide (PubChem CID 7217821) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide
PubChem CID7217821
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2ccc3nncn3n2)cc1)C1CCCCC1
InChIInChI=1S/C18H19N5O/c24-18(14-4-2-1-3-5-14)20-15-8-6-13(7-9-15)16-10-11-17-21-19-12-23(17)22-16/h6-12,14H,1-5H2,(H,20,24)
InChIKeyPTJNIYFHKKUYIF-UHFFFAOYSA-N
XLogP3.31
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide (CID 7217821) is N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide is O=C(Nc1ccc(-c2ccc3nncn3n2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide?
The InChIKey is PTJNIYFHKKUYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-18(14-4-2-1-3-5-14)20-15-8-6-13(7-9-15)16-10-11-17-21-19-12-23(17)22-16/h6-12,14H,1-5H2,(H,20,24).
What are the key properties of N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide?
N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 7217821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).