3-[4-(methoxymethyl)piperidin-1-yl]-5-naphthalen-1-yl-1,2,4-triazine

C20H22N4O — CID 42362902

IUPAC3-[4-(methoxymethyl)piperidin-1-yl]-5-naphthalen-1-yl-1,2,4-triazine
SMILESCOCC1CCN(c2nncc(-c3cccc4ccccc34)n2)CC1
InChIInChI=1S/C20H22N4O/c1-25-14-15-9-11-24(12-10-15)20-22-19(13-21-23-20)18-8-4-6-16-5-2-3-7-17(16)18/h2-8,13,15H,9-12,14H2,1H3
InChIKeyYPRHTDFRVKOLRI-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.55
Rot. Bonds4

About 3-[4-(methoxymethyl)piperidin-1-yl]-5-naphthalen-1-yl-1,2,4-triazine

3-[4-(methoxymethyl)piperidin-1-yl]-5-naphthalen-1-yl-1,2,4-triazine (PubChem CID 42362902) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)piperidin-1-yl]-5-naphthalen-1-yl-1,2,4-triazine.

Molecular Properties

Compound Name3-[4-(methoxymethyl)piperidin-1-yl]-5-naphthalen-1-yl-1,2,4-triazine
PubChem CID42362902
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-[4-(methoxymethyl)piperidin-1-yl]-5-naphthalen-1-yl-1,2,4-triazine
SMILESCOCC1CCN(c2nncc(-c3cccc4ccccc34)n2)CC1
InChIInChI=1S/C20H22N4O/c1-25-14-15-9-11-24(12-10-15)20-22-19(13-21-23-20)18-8-4-6-16-5-2-3-7-17(16)18/h2-8,13,15H,9-12,14H2,1H3
InChIKeyYPRHTDFRVKOLRI-UHFFFAOYSA-N
XLogP3.55
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-naphthalen-1-yl-1,2,4-triazin-3-yl)azepane
CID 42508182
ethyl (3S)-1-(5-naphthalen-1-yl-1,2,4-triazin-3-yl)piperidine-3-carboxylate
CID 25384219
3-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazine
CID 51505752
2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine
CID 56691173
3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine
CID 42595056
4-(chloromethyl)-1-[4-(methoxymethyl)piperidin-1-yl]isoquinoline
CID 106769214
2-[4-(methoxymethyl)piperidin-1-yl]-1H-benzimidazole
CID 133410263
2-[1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]ethanol
CID 42209757
[1-[3-(methoxymethyl)pyrrolidin-1-yl]isoquinolin-3-yl]methanol
CID 64599052
1-methoxy-3-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]propan-2-ol
CID 45202050
4-[[1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]methyl]morpholine
CID 45202155
5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine
CID 6401202

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)piperidin-1-yl]-5-naphthalen-1-yl-1,2,4-triazine?
The IUPAC name of 3-[4-(methoxymethyl)piperidin-1-yl]-5-naphthalen-1-yl-1,2,4-triazine (CID 42362902) is 3-[4-(methoxymethyl)piperidin-1-yl]-5-naphthalen-1-yl-1,2,4-triazine.
What is the SMILES notation for 3-[4-(methoxymethyl)piperidin-1-yl]-5-naphthalen-1-yl-1,2,4-triazine?
The canonical SMILES for 3-[4-(methoxymethyl)piperidin-1-yl]-5-naphthalen-1-yl-1,2,4-triazine is COCC1CCN(c2nncc(-c3cccc4ccccc34)n2)CC1.
What is the InChIKey of 3-[4-(methoxymethyl)piperidin-1-yl]-5-naphthalen-1-yl-1,2,4-triazine?
The InChIKey is YPRHTDFRVKOLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-25-14-15-9-11-24(12-10-15)20-22-19(13-21-23-20)18-8-4-6-16-5-2-3-7-17(16)18/h2-8,13,15H,9-12,14H2,1H3.
What are the key properties of 3-[4-(methoxymethyl)piperidin-1-yl]-5-naphthalen-1-yl-1,2,4-triazine?
3-[4-(methoxymethyl)piperidin-1-yl]-5-naphthalen-1-yl-1,2,4-triazine has a molecular weight of 334.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)piperidin-1-yl]-5-naphthalen-1-yl-1,2,4-triazine is sourced from PubChem (CID 42362902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).