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

C14H15N5O2 — CID 46703019

IUPAC6-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(Cn3cncn3)C(=O)CC2)cc1
InChIInChI=1S/C14H15N5O2/c1-21-12-4-2-11(3-5-12)13-6-7-14(20)19(17-13)10-18-9-15-8-16-18/h2-5,8-9H,6-7,10H2,1H3
InChIKeyXQZMDJSPIZDQCZ-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.27
Rot. Bonds4

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

6-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one (PubChem CID 46703019) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
PubChem CID46703019
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name6-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(Cn3cncn3)C(=O)CC2)cc1
InChIInChI=1S/C14H15N5O2/c1-21-12-4-2-11(3-5-12)13-6-7-14(20)19(17-13)10-18-9-15-8-16-18/h2-5,8-9H,6-7,10H2,1H3
InChIKeyXQZMDJSPIZDQCZ-UHFFFAOYSA-N
XLogP1.27
TPSA72.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one (CID 46703019) is 6-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one is COc1ccc(C2=NN(Cn3cncn3)C(=O)CC2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The InChIKey is XQZMDJSPIZDQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-21-12-4-2-11(3-5-12)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-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
6-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one has a molecular weight of 285.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 46703019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).