3-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine

C10H18N4 — CID 106779937

IUPAC3-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCC1CNCC(Cc2ncnn2C)C1
InChIInChI=1S/C10H18N4/c1-8-3-9(6-11-5-8)4-10-12-7-13-14(10)2/h7-9,11H,3-6H2,1-2H3
InChIKeyDIHXBCHMJLIUFX-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.60
Rot. Bonds2

About 3-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine

3-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 106779937) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name3-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID106779937
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCC1CNCC(Cc2ncnn2C)C1
InChIInChI=1S/C10H18N4/c1-8-3-9(6-11-5-8)4-10-12-7-13-14(10)2/h7-9,11H,3-6H2,1-2H3
InChIKeyDIHXBCHMJLIUFX-UHFFFAOYSA-N
XLogP0.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 3-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine (CID 106779937) is 3-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 3-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 3-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine is CC1CNCC(Cc2ncnn2C)C1.
What is the InChIKey of 3-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is DIHXBCHMJLIUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8-3-9(6-11-5-8)4-10-12-7-13-14(10)2/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 3-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
3-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 194.28 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 106779937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).