4-amino-3-(4-methoxyanilino)-6-[(E)-2-phenylethenyl]-1,2,4-triazin-5-one

C18H17N5O2 — CID 56696535

IUPAC4-amino-3-(4-methoxyanilino)-6-[(E)-2-phenylethenyl]-1,2,4-triazin-5-one
SMILESCOc1ccc(Nc2nnc(/C=C/c3ccccc3)c(=O)n2N)cc1
InChIInChI=1S/C18H17N5O2/c1-25-15-10-8-14(9-11-15)20-18-22-21-16(17(24)23(18)19)12-7-13-5-3-2-4-6-13/h2-12H,19H2,1H3,(H,20,22)/b12-7+
InChIKeyGUXNOFSSOJMOQW-KPKJPENVSA-N
MW335.37 g/mol
LogP2.27
Rot. Bonds5

About 4-amino-3-(4-methoxyanilino)-6-[(E)-2-phenylethenyl]-1,2,4-triazin-5-one

4-amino-3-(4-methoxyanilino)-6-[(E)-2-phenylethenyl]-1,2,4-triazin-5-one (PubChem CID 56696535) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-amino-3-(4-methoxyanilino)-6-[(E)-2-phenylethenyl]-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-3-(4-methoxyanilino)-6-[(E)-2-phenylethenyl]-1,2,4-triazin-5-one
PubChem CID56696535
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name4-amino-3-(4-methoxyanilino)-6-[(E)-2-phenylethenyl]-1,2,4-triazin-5-one
SMILESCOc1ccc(Nc2nnc(/C=C/c3ccccc3)c(=O)n2N)cc1
InChIInChI=1S/C18H17N5O2/c1-25-15-10-8-14(9-11-15)20-18-22-21-16(17(24)23(18)19)12-7-13-5-3-2-4-6-13/h2-12H,19H2,1H3,(H,20,22)/b12-7+
InChIKeyGUXNOFSSOJMOQW-KPKJPENVSA-N
XLogP2.27
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-3-(4-methylanilino)-6-phenyl-1,2,4-triazin-5-one
CID 12693411
methyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate
CID 169233543
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
4-amino-3-benzylsulfanyl-6-(4-methoxyanilino)-1,2,4-triazin-5-one
CID 35755183
(E)-N-(4-methoxyphenyl)-2-phenylethenesulfonamide
CID 767425
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
(5Z)-3-(4-methoxyanilino)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one
CID 5471598
N-(4-methoxyphenyl)-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 11724379
4-(4-methoxyanilino)-2-methyl-5-phenyl-1,2-thiazol-3-one
CID 91145565
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
2-(4-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 6626180

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-methoxyanilino)-6-[(E)-2-phenylethenyl]-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-3-(4-methoxyanilino)-6-[(E)-2-phenylethenyl]-1,2,4-triazin-5-one (CID 56696535) is 4-amino-3-(4-methoxyanilino)-6-[(E)-2-phenylethenyl]-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-3-(4-methoxyanilino)-6-[(E)-2-phenylethenyl]-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-3-(4-methoxyanilino)-6-[(E)-2-phenylethenyl]-1,2,4-triazin-5-one is COc1ccc(Nc2nnc(/C=C/c3ccccc3)c(=O)n2N)cc1.
What is the InChIKey of 4-amino-3-(4-methoxyanilino)-6-[(E)-2-phenylethenyl]-1,2,4-triazin-5-one?
The InChIKey is GUXNOFSSOJMOQW-KPKJPENVSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-25-15-10-8-14(9-11-15)20-18-22-21-16(17(24)23(18)19)12-7-13-5-3-2-4-6-13/h2-12H,19H2,1H3,(H,20,22)/b12-7+.
What are the key properties of 4-amino-3-(4-methoxyanilino)-6-[(E)-2-phenylethenyl]-1,2,4-triazin-5-one?
4-amino-3-(4-methoxyanilino)-6-[(E)-2-phenylethenyl]-1,2,4-triazin-5-one has a molecular weight of 335.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-methoxyanilino)-6-[(E)-2-phenylethenyl]-1,2,4-triazin-5-one is sourced from PubChem (CID 56696535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).