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

C14H15N5O — CID 46702857

IUPAC6-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccc(C2=NN(Cn3cncn3)C(=O)CC2)cc1
InChIInChI=1S/C14H15N5O/c1-11-2-4-12(5-3-11)13-6-7-14(20)19(17-13)10-18-9-15-8-16-18/h2-5,8-9H,6-7,10H2,1H3
InChIKeyVLROYGGPISFFND-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.57
Rot. Bonds3

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

6-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one (PubChem CID 46702857) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
PubChem CID46702857
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name6-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccc(C2=NN(Cn3cncn3)C(=O)CC2)cc1
InChIInChI=1S/C14H15N5O/c1-11-2-4-12(5-3-11)13-6-7-14(20)19(17-13)10-18-9-15-8-16-18/h2-5,8-9H,6-7,10H2,1H3
InChIKeyVLROYGGPISFFND-UHFFFAOYSA-N
XLogP1.57
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 46702673
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CID 46703180
CID 46703319
CID 46703319
CID 46703604
CID 46703604
CID 46703751
CID 46703751
CID 71589127
CID 71589127
CID 71589224
CID 71589224
CID 3505427
CID 3505427
CID 66969252
CID 66969252

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one (CID 46702857) is 6-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one is Cc1ccc(C2=NN(Cn3cncn3)C(=O)CC2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The InChIKey is VLROYGGPISFFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-11-2-4-12(5-3-11)13-6-7-14(20)19(17-13)10-18-9-15-8-16-18/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 6-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
6-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one has a molecular weight of 269.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 46702857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).