6-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one

C13H13N5O — CID 46702673

IUPAC6-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccccc2)=NN1Cn1cncn1
InChIInChI=1S/C13H13N5O/c19-13-7-6-12(11-4-2-1-3-5-11)16-18(13)10-17-9-14-8-15-17/h1-5,8-9H,6-7,10H2
InChIKeyIYMFCMVVVICUJO-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.26
Rot. Bonds3

About 6-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one

6-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one (PubChem CID 46702673) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
PubChem CID46702673
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name6-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccccc2)=NN1Cn1cncn1
InChIInChI=1S/C13H13N5O/c19-13-7-6-12(11-4-2-1-3-5-11)16-18(13)10-17-9-14-8-15-17/h1-5,8-9H,6-7,10H2
InChIKeyIYMFCMVVVICUJO-UHFFFAOYSA-N
XLogP1.26
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine
CID 795426
(E)-6-(tert-butyl)-8-((4-methylbenzylidene)amino)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one
CID 9612529
(E)-8-(benzylideneamino)-6-(tert-butyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one
CID 9670554
N-methyl-2-phenyl-N-(4H-1,2,4-triazol-4-yl)acetamide
CID 1214462
6-(4-Methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
CID 46702857
6-(4-Ethylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
CID 46703180
6-[4-(2-Methylpropyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
CID 46703319
6-(4-Phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
CID 46703604
6-(4-Chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
CID 46703751
[1,2,4]-Triazolo[2,3-a]pyrimidin-7(6H)-one, 2-acetylamino-5-phenyl-
CID 614787
1-(2-Hydroxyethoxymethyl)-3-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
CID 71589124
1-(2-Hydroxyethyl)-3-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
CID 71589127

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one (CID 46702673) is 6-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one is O=C1CCC(c2ccccc2)=NN1Cn1cncn1.
What is the InChIKey of 6-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The InChIKey is IYMFCMVVVICUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c19-13-7-6-12(11-4-2-1-3-5-11)16-18(13)10-17-9-14-8-15-17/h1-5,8-9H,6-7,10H2.
What are the key properties of 6-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
6-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one has a molecular weight of 255.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 46702673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).