1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide

C19H14FN7O2 — CID 55720325

IUPAC1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide
SMILESO=C(NCc1cccnc1-n1cncn1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H14FN7O2/c20-14-3-5-15(6-4-14)27-17(28)8-7-16(25-27)19(29)23-10-13-2-1-9-22-18(13)26-12-21-11-24-26/h1-9,11-12H,10H2,(H,23,29)
InChIKeyIHKKWQKGPMZBIW-UHFFFAOYSA-N
MW391.37 g/mol
LogP1.28
Rot. Bonds5

About 1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide

1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide (PubChem CID 55720325) has the molecular formula C19H14FN7O2 and a molecular weight of 391.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide
PubChem CID55720325
Molecular FormulaC19H14FN7O2
Molecular Weight391.37 g/mol
Exact Mass391.12
IUPAC Name1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide
SMILESO=C(NCc1cccnc1-n1cncn1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H14FN7O2/c20-14-3-5-15(6-4-14)27-17(28)8-7-16(25-27)19(29)23-10-13-2-1-9-22-18(13)26-12-21-11-24-26/h1-9,11-12H,10H2,(H,23,29)
InChIKeyIHKKWQKGPMZBIW-UHFFFAOYSA-N
XLogP1.28
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide with MolForge

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55632249
1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide
CID 86979076
2-(2-aminoethoxy)-5-fluoro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 118780799
2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide
CID 60622520
7-fluoro-2,3-dimethyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoxaline-5-carboxamide
CID 47057006
(4R)-7-fluoro-2-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51949084
1-[(2S)-3-methylbutan-2-yl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 94027698
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55632306
1-tert-butyl-5-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazole-3-carboxamide
CID 47056995
N-[[4-(4-fluorophenoxy)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31966495
1-butyl-6-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridazine-3-carboxamide
CID 55652495

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide (CID 55720325) is 1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide is O=C(NCc1cccnc1-n1cncn1)c1ccc(=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide?
The InChIKey is IHKKWQKGPMZBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN7O2/c20-14-3-5-15(6-4-14)27-17(28)8-7-16(25-27)19(29)23-10-13-2-1-9-22-18(13)26-12-21-11-24-26/h1-9,11-12H,10H2,(H,23,29).
What are the key properties of 1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide?
1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide has a molecular weight of 391.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 55720325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).