4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine

C9H16N4O — CID 63876170

IUPAC4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine
SMILESCn1ncnc1COC1CCNCC1
InChIInChI=1S/C9H16N4O/c1-13-9(11-7-12-13)6-14-8-2-4-10-5-3-8/h7-8,10H,2-6H2,1H3
InChIKeyNPVWMPUWSUHMEU-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.08
Rot. Bonds3

About 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine

4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine (PubChem CID 63876170) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine.

Molecular Properties

Compound Name4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine
PubChem CID63876170
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine
SMILESCn1ncnc1COC1CCNCC1
InChIInChI=1S/C9H16N4O/c1-13-9(11-7-12-13)6-14-8-2-4-10-5-3-8/h7-8,10H,2-6H2,1H3
InChIKeyNPVWMPUWSUHMEU-UHFFFAOYSA-N
XLogP0.08
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine?
The IUPAC name of 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine (CID 63876170) is 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine.
What is the SMILES notation for 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine?
The canonical SMILES for 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine is Cn1ncnc1COC1CCNCC1.
What is the InChIKey of 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine?
The InChIKey is NPVWMPUWSUHMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13-9(11-7-12-13)6-14-8-2-4-10-5-3-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine?
4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine has a molecular weight of 196.25 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine is sourced from PubChem (CID 63876170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).