N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide

C21H22N4O4 — CID 51345697

IUPACN-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide
SMILESCCC(C(=O)Nc1ccc(OC)cc1)n1ncc(-c2ccc(OC)cc2)nc1=O
InChIInChI=1S/C21H22N4O4/c1-4-19(20(26)23-15-7-11-17(29-3)12-8-15)25-21(27)24-18(13-22-25)14-5-9-16(28-2)10-6-14/h5-13,19H,4H2,1-3H3,(H,23,26)
InChIKeyHIVRGZSSILSNBV-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.91
Rot. Bonds7

About N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide

N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide (PubChem CID 51345697) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide
PubChem CID51345697
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide
SMILESCCC(C(=O)Nc1ccc(OC)cc1)n1ncc(-c2ccc(OC)cc2)nc1=O
InChIInChI=1S/C21H22N4O4/c1-4-19(20(26)23-15-7-11-17(29-3)12-8-15)25-21(27)24-18(13-22-25)14-5-9-16(28-2)10-6-14/h5-13,19H,4H2,1-3H3,(H,23,26)
InChIKeyHIVRGZSSILSNBV-UHFFFAOYSA-N
XLogP2.91
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide
CID 94009917
N-(4-chlorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide
CID 51345696
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062265
N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 5064719
(2S)-N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 92902730
(2S)-N-(3-fluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062251
(2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide
CID 92902778
(2S)-N-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]butanamide
CID 28622867
(2R)-N-(4-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062263
(2S)-N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062258
(2R)-N-(4-fluoro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062269
(2R)-N-(2-chloro-6-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 94009941

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide (CID 51345697) is N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide is CCC(C(=O)Nc1ccc(OC)cc1)n1ncc(-c2ccc(OC)cc2)nc1=O.
What is the InChIKey of N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide?
The InChIKey is HIVRGZSSILSNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-4-19(20(26)23-15-7-11-17(29-3)12-8-15)25-21(27)24-18(13-22-25)14-5-9-16(28-2)10-6-14/h5-13,19H,4H2,1-3H3,(H,23,26).
What are the key properties of N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide?
N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide has a molecular weight of 394.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide is sourced from PubChem (CID 51345697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).