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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).