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

C18H13N5O — CID 7532323

IUPACN-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc3nncn3n2)cc1)c1ccccc1
InChIInChI=1S/C18H13N5O/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/h1-12H,(H,20,24)
InChIKeyNAWJQWMRRRZNML-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.04
Rot. Bonds3

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

N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (PubChem CID 7532323) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
PubChem CID7532323
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC NameN-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc3nncn3n2)cc1)c1ccccc1
InChIInChI=1S/C18H13N5O/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/h1-12H,(H,20,24)
InChIKeyNAWJQWMRRRZNML-UHFFFAOYSA-N
XLogP3.04
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-1-carboxamide
CID 7532319
6-oxo-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide
CID 121036697
2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532239
4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532185
4-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532235
2-methoxy-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532318
2-ethyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide
CID 7532321
N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121036246
N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532602
3-cyano-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 121036202
1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide
CID 121036280
N-[4-(5-benzamido-2-pyridinyl)phenyl]benzamide
CID 86766305

Frequently Asked Questions

What is the IUPAC name of N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The IUPAC name of N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (CID 7532323) is N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The canonical SMILES for N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide 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]benzamide?
The InChIKey is NAWJQWMRRRZNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/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/h1-12H,(H,20,24).
What are the key properties of N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide has a molecular weight of 315.34 g/mol, XLogP of 3.04, 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]benzamide is sourced from PubChem (CID 7532323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).