6-(4-methoxyphenyl)-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one

C14H17N5O3 — CID 135634765

IUPAC6-(4-methoxyphenyl)-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(-c2nnc(NN3CCOCC3)[nH]c2=O)cc1
InChIInChI=1S/C14H17N5O3/c1-21-11-4-2-10(3-5-11)12-13(20)15-14(17-16-12)18-19-6-8-22-9-7-19/h2-5H,6-9H2,1H3,(H2,15,17,18,20)
InChIKeyAPRARNXVGGHKKK-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.50
Rot. Bonds4

About 6-(4-methoxyphenyl)-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one

6-(4-methoxyphenyl)-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one (PubChem CID 135634765) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one
PubChem CID135634765
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name6-(4-methoxyphenyl)-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(-c2nnc(NN3CCOCC3)[nH]c2=O)cc1
InChIInChI=1S/C14H17N5O3/c1-21-11-4-2-10(3-5-11)12-13(20)15-14(17-16-12)18-19-6-8-22-9-7-19/h2-5H,6-9H2,1H3,(H2,15,17,18,20)
InChIKeyAPRARNXVGGHKKK-UHFFFAOYSA-N
XLogP0.50
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-benzyl-3-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135506051
4-Methoxybenzaldehyde (5-oxo-6-phenyl-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone
CID 135411612
6-(4-Methoxyphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydropyridazin-3-one
CID 46702858
4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one
CID 70693720
6-(4-ethoxybenzyl)-3-morpholino-1,2,4-triazin-5(4H)-one
CID 135561218
6-(4-ethoxybenzyl)-3-((2-morpholinoethyl)amino)-1,2,4-triazin-5(4H)-one
CID 135561239
6-(4-Methoxyphenyl)-3-[(2-phenylethyl)amino]-1,2,4-triazin-5-ol
CID 135634760
3-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-6-(4-methoxyphenyl)-4H-1,2,4-triazin-5-one
CID 136789172
3-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-6-(4-methoxyphenyl)-4H-1,2,4-triazin-5-one
CID 136789203
3-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-(4-methoxyphenyl)-4H-1,2,4-triazin-5-one
CID 136789303
(E)-3-(2-(2-ethoxybenzylidene)hydrazinyl)-6-phenyl-1,2,4-triazin-5(4H)-one
CID 135412071
6-benzyl-3-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135444017

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-(4-methoxyphenyl)-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one (CID 135634765) is 6-(4-methoxyphenyl)-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-(4-methoxyphenyl)-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one is COc1ccc(-c2nnc(NN3CCOCC3)[nH]c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is APRARNXVGGHKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-21-11-4-2-10(3-5-11)12-13(20)15-14(17-16-12)18-19-6-8-22-9-7-19/h2-5H,6-9H2,1H3,(H2,15,17,18,20).
What are the key properties of 6-(4-methoxyphenyl)-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one?
6-(4-methoxyphenyl)-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 303.32 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135634765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).