2-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-4-methylpyrimidine

C14H20N6O — CID 154778622

IUPAC2-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-4-methylpyrimidine
SMILESCOCc1nc(C2CCCCN2c2nccc(C)n2)n[nH]1
InChIInChI=1S/C14H20N6O/c1-10-6-7-15-14(16-10)20-8-4-3-5-11(20)13-17-12(9-21-2)18-19-13/h6-7,11H,3-5,8-9H2,1-2H3,(H,17,18,19)
InChIKeyTWXXBHRKSWWXME-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.78
Rot. Bonds4

About 2-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-4-methylpyrimidine

2-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-4-methylpyrimidine (PubChem CID 154778622) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-4-methylpyrimidine
PubChem CID154778622
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name2-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-4-methylpyrimidine
SMILESCOCc1nc(C2CCCCN2c2nccc(C)n2)n[nH]1
InChIInChI=1S/C14H20N6O/c1-10-6-7-15-14(16-10)20-8-4-3-5-11(20)13-17-12(9-21-2)18-19-13/h6-7,11H,3-5,8-9H2,1-2H3,(H,17,18,19)
InChIKeyTWXXBHRKSWWXME-UHFFFAOYSA-N
XLogP1.78
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
CID 154751126
5-bromo-2-[(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 129487383
5-bromo-4-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 128969802
3-[(2R)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine
CID 129487497
3,4-dimethoxy-2-[[(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 129487509
[(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 129492216
(2S)-1-[(2,6-difluorophenyl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 129487395
3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole
CID 61337738
(2-chlorofuran-3-yl)-[(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 129487453
2-[5-[(4-methoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]-1-methylazepane
CID 131912704
(2S)-1-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 129487373
(2R)-1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 129487363

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-4-methylpyrimidine?
The IUPAC name of 2-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-4-methylpyrimidine (CID 154778622) is 2-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-4-methylpyrimidine.
What is the SMILES notation for 2-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-4-methylpyrimidine?
The canonical SMILES for 2-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-4-methylpyrimidine is COCc1nc(C2CCCCN2c2nccc(C)n2)n[nH]1.
What is the InChIKey of 2-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-4-methylpyrimidine?
The InChIKey is TWXXBHRKSWWXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10-6-7-15-14(16-10)20-8-4-3-5-11(20)13-17-12(9-21-2)18-19-13/h6-7,11H,3-5,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-4-methylpyrimidine?
2-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-4-methylpyrimidine has a molecular weight of 288.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-4-methylpyrimidine is sourced from PubChem (CID 154778622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).