5-phenyl-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)pyridine-3-carboxamide

C18H14N6O — CID 167782694

IUPAC5-phenyl-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1nnc2cccnn12)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C18H14N6O/c25-18(20-12-17-23-22-16-7-4-8-21-24(16)17)15-9-14(10-19-11-15)13-5-2-1-3-6-13/h1-11H,12H2,(H,20,25)
InChIKeyBMRYRTRICWNECD-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.12
Rot. Bonds4

About 5-phenyl-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)pyridine-3-carboxamide

5-phenyl-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 167782694) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 5-phenyl-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID167782694
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name5-phenyl-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1nnc2cccnn12)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C18H14N6O/c25-18(20-12-17-23-22-16-7-4-8-21-24(16)17)15-9-14(10-19-11-15)13-5-2-1-3-6-13/h1-11H,12H2,(H,20,25)
InChIKeyBMRYRTRICWNECD-UHFFFAOYSA-N
XLogP2.12
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide
CID 42845323
N-(imidazo[1,2-b]pyridazin-3-ylmethyl)benzamide
CID 66742714
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
N-benzyl-5-(3-fluorophenyl)pyridine-3-carboxamide
CID 42845762
N,5-diphenylpyridine-3-carboxamide
CID 110683714
N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020816
5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 46032971
2-[[[5-(4-methylphenyl)pyridine-3-carbonyl]amino]methyl]benzoic acid
CID 167762508
N-cyclopropyl-5-(4-phenylphenyl)pyridine-3-carboxamide
CID 42845850
5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 136514307
N-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride
CID 119641823
N-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 89034600

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-phenyl-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)pyridine-3-carboxamide (CID 167782694) is 5-phenyl-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-phenyl-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)pyridine-3-carboxamide is O=C(NCc1nnc2cccnn12)c1cncc(-c2ccccc2)c1.
What is the InChIKey of 5-phenyl-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is BMRYRTRICWNECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c25-18(20-12-17-23-22-16-7-4-8-21-24(16)17)15-9-14(10-19-11-15)13-5-2-1-3-6-13/h1-11H,12H2,(H,20,25).
What are the key properties of 5-phenyl-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)pyridine-3-carboxamide?
5-phenyl-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 167782694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).