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

C19H17N5O — CID 46703604

IUPAC6-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccc(-c3ccccc3)cc2)=NN1Cn1cncn1
InChIInChI=1S/C19H17N5O/c25-19-11-10-18(22-24(19)14-23-13-20-12-21-23)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2
InChIKeyQEQSSKWQBKPKEA-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.93
Rot. Bonds4

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

6-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one (PubChem CID 46703604) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 6-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
PubChem CID46703604
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name6-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccc(-c3ccccc3)cc2)=NN1Cn1cncn1
InChIInChI=1S/C19H17N5O/c25-19-11-10-18(22-24(19)14-23-13-20-12-21-23)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2
InChIKeyQEQSSKWQBKPKEA-UHFFFAOYSA-N
XLogP2.93
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 46702857
CID 46703180
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CID 46703319
CID 46703319
CID 46703751
CID 46703751
CID 171980012
CID 171980012
CID 5218593
CID 5218593
CID 6304837
CID 6304837
CID 594054
CID 594054
CID 66969256
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CID 70605665
CID 70605665

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one (CID 46703604) is 6-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one is O=C1CCC(c2ccc(-c3ccccc3)cc2)=NN1Cn1cncn1.
What is the InChIKey of 6-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The InChIKey is QEQSSKWQBKPKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c25-19-11-10-18(22-24(19)14-23-13-20-12-21-23)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2.
What are the key properties of 6-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
6-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one has a molecular weight of 331.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 46703604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).