3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide

C18H24N4O3 — CID 135872356

IUPAC3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide
SMILESCOc1ccccc1Cc1nnc(CCC(=O)NCC(C)C)c(=O)[nH]1
InChIInChI=1S/C18H24N4O3/c1-12(2)11-19-17(23)9-8-14-18(24)20-16(22-21-14)10-13-6-4-5-7-15(13)25-3/h4-7,12H,8-11H2,1-3H3,(H,19,23)(H,20,22,24)
InChIKeyCUTFNCRDTGHTHU-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.47
Rot. Bonds8

About 3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide

3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide (PubChem CID 135872356) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide
PubChem CID135872356
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide
SMILESCOc1ccccc1Cc1nnc(CCC(=O)NCC(C)C)c(=O)[nH]1
InChIInChI=1S/C18H24N4O3/c1-12(2)11-19-17(23)9-8-14-18(24)20-16(22-21-14)10-13-6-4-5-7-15(13)25-3/h4-7,12H,8-11H2,1-3H3,(H,19,23)(H,20,22,24)
InChIKeyCUTFNCRDTGHTHU-UHFFFAOYSA-N
XLogP1.47
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 136836985
3-[(2-methoxyphenyl)methyl]-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one
CID 135859607
3-[3-(3-methoxy-4-phenylmethoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide
CID 135859298
3-[3-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide
CID 135859136
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methylpropyl)acetamide
CID 49167933
N-[(2R)-2-(ethylamino)propyl]-3-(2-methoxyphenyl)propanamide
CID 120652535
3-[3-(4-butoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 135868306
N-[2-(2-methoxyphenyl)ethyl]-3-[5-oxo-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide
CID 135868778
N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide
CID 109012770
N-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide
CID 66175795
2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)propanamide
CID 103604200
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide
CID 110298935

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide (CID 135872356) is 3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide is COc1ccccc1Cc1nnc(CCC(=O)NCC(C)C)c(=O)[nH]1.
What is the InChIKey of 3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is CUTFNCRDTGHTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(2)11-19-17(23)9-8-14-18(24)20-16(22-21-14)10-13-6-4-5-7-15(13)25-3/h4-7,12H,8-11H2,1-3H3,(H,19,23)(H,20,22,24).
What are the key properties of 3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide?
3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 344.42 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 135872356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).