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

C17H17N5O — CID 7217816

IUPACN-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(-c2ccc3nncn3n2)cc1)C1CCCC1
InChIInChI=1S/C17H17N5O/c23-17(13-3-1-2-4-13)19-14-7-5-12(6-8-14)15-9-10-16-20-18-11-22(16)21-15/h5-11,13H,1-4H2,(H,19,23)
InChIKeyHZBRVJIGIMRIHR-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.92
Rot. Bonds3

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

N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide (PubChem CID 7217816) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide
PubChem CID7217816
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(-c2ccc3nncn3n2)cc1)C1CCCC1
InChIInChI=1S/C17H17N5O/c23-17(13-3-1-2-4-13)19-14-7-5-12(6-8-14)15-9-10-16-20-18-11-22(16)21-15/h5-11,13H,1-4H2,(H,19,23)
InChIKeyHZBRVJIGIMRIHR-UHFFFAOYSA-N
XLogP2.92
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.92
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]cyclopentanecarboxamide?
The IUPAC name of N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide (CID 7217816) is N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide is O=C(Nc1ccc(-c2ccc3nncn3n2)cc1)C1CCCC1.
What is the InChIKey of N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide?
The InChIKey is HZBRVJIGIMRIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-17(13-3-1-2-4-13)19-14-7-5-12(6-8-14)15-9-10-16-20-18-11-22(16)21-15/h5-11,13H,1-4H2,(H,19,23).
What are the key properties of N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide?
N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.92, 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]cyclopentanecarboxamide is sourced from PubChem (CID 7217816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).