3-[3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-morpholin-4-ylpropanamide

C24H26ClN5O5 — CID 135859339

IUPAC3-[3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-morpholin-4-ylpropanamide
SMILESCOc1cc(-c2nnc(CCC(=O)NN3CCOCC3)c(=O)[nH]2)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C24H26ClN5O5/c1-33-21-14-17(5-7-20(21)35-15-16-3-2-4-18(25)13-16)23-26-24(32)19(27-28-23)6-8-22(31)29-30-9-11-34-12-10-30/h2-5,7,13-14H,6,8-12,15H2,1H3,(H,29,31)(H,26,28,32)
InChIKeyFGEXAUCXPHPVRV-UHFFFAOYSA-N
MW499.96 g/mol
LogP2.37
Rot. Bonds9

About 3-[3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-morpholin-4-ylpropanamide

3-[3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-morpholin-4-ylpropanamide (PubChem CID 135859339) has the molecular formula C24H26ClN5O5 and a molecular weight of 499.96 g/mol. Its IUPAC name is 3-[3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name3-[3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-morpholin-4-ylpropanamide
PubChem CID135859339
Molecular FormulaC24H26ClN5O5
Molecular Weight499.96 g/mol
Exact Mass499.16
IUPAC Name3-[3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-morpholin-4-ylpropanamide
SMILESCOc1cc(-c2nnc(CCC(=O)NN3CCOCC3)c(=O)[nH]2)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C24H26ClN5O5/c1-33-21-14-17(5-7-20(21)35-15-16-3-2-4-18(25)13-16)23-26-24(32)19(27-28-23)6-8-22(31)29-30-9-11-34-12-10-30/h2-5,7,13-14H,6,8-12,15H2,1H3,(H,29,31)(H,26,28,32)
InChIKeyFGEXAUCXPHPVRV-UHFFFAOYSA-N
XLogP2.37
TPSA118.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.96
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3-(3-methoxy-4-phenylmethoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-morpholin-4-ylpropanamide
CID 135872049
3-[3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanoic acid
CID 135871658
3-[3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(3-methoxypropyl)propanamide
CID 135872090
3-[3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 135868628
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-6-(3-morpholin-4-yl-3-oxopropyl)-4H-1,2,4-triazin-5-one
CID 135868669
3-[3-(3-methoxy-4-phenylmethoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide
CID 135859298
3-[3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 135859372
3-[3-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methoxyethyl)propanamide
CID 135872100
N-(cyclohexylmethyl)-3-[3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135859371
3-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6-(3-oxo-3-thiomorpholin-4-ylpropyl)-4H-1,2,4-triazin-5-one
CID 135868662
N-benzyl-3-[3-(4-ethoxy-3-methoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135859320
N-benzyl-3-[3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-methylpropanamide
CID 135868676

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-morpholin-4-ylpropanamide?
The IUPAC name of 3-[3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-morpholin-4-ylpropanamide (CID 135859339) is 3-[3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-morpholin-4-ylpropanamide.
What is the SMILES notation for 3-[3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-morpholin-4-ylpropanamide?
The canonical SMILES for 3-[3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-morpholin-4-ylpropanamide is COc1cc(-c2nnc(CCC(=O)NN3CCOCC3)c(=O)[nH]2)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of 3-[3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-morpholin-4-ylpropanamide?
The InChIKey is FGEXAUCXPHPVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O5/c1-33-21-14-17(5-7-20(21)35-15-16-3-2-4-18(25)13-16)23-26-24(32)19(27-28-23)6-8-22(31)29-30-9-11-34-12-10-30/h2-5,7,13-14H,6,8-12,15H2,1H3,(H,29,31)(H,26,28,32).
What are the key properties of 3-[3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-morpholin-4-ylpropanamide?
3-[3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-morpholin-4-ylpropanamide has a molecular weight of 499.96 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-morpholin-4-ylpropanamide is sourced from PubChem (CID 135859339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).