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

C15H17N5O — CID 46703180

IUPAC6-(4-ethylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESCCc1ccc(C2=NN(Cn3cncn3)C(=O)CC2)cc1
InChIInChI=1S/C15H17N5O/c1-2-12-3-5-13(6-4-12)14-7-8-15(21)20(18-14)11-19-10-16-9-17-19/h3-6,9-10H,2,7-8,11H2,1H3
InChIKeyPNEDZHWQXARSTR-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.82
Rot. Bonds4

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

6-(4-ethylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one (PubChem CID 46703180) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-ethylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
PubChem CID46703180
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name6-(4-ethylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESCCc1ccc(C2=NN(Cn3cncn3)C(=O)CC2)cc1
InChIInChI=1S/C15H17N5O/c1-2-12-3-5-13(6-4-12)14-7-8-15(21)20(18-14)11-19-10-16-9-17-19/h3-6,9-10H,2,7-8,11H2,1H3
InChIKeyPNEDZHWQXARSTR-UHFFFAOYSA-N
XLogP1.82
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-ethylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one (CID 46703180) is 6-(4-ethylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-ethylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-ethylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one is CCc1ccc(C2=NN(Cn3cncn3)C(=O)CC2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The InChIKey is PNEDZHWQXARSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-12-3-5-13(6-4-12)14-7-8-15(21)20(18-14)11-19-10-16-9-17-19/h3-6,9-10H,2,7-8,11H2,1H3.
What are the key properties of 6-(4-ethylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
6-(4-ethylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one has a molecular weight of 283.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 46703180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).