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

C10H18N4 — CID 54592632

IUPAC2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
SMILESCc1nc(C)n(CC2CCCCN2)n1
InChIInChI=1S/C10H18N4/c1-8-12-9(2)14(13-8)7-10-5-3-4-6-11-10/h10-11H,3-7H2,1-2H3
InChIKeyINDKHEXXHYDJLL-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.04
Rot. Bonds2

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

2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine (PubChem CID 54592632) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
PubChem CID54592632
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
SMILESCc1nc(C)n(CC2CCCCN2)n1
InChIInChI=1S/C10H18N4/c1-8-12-9(2)14(13-8)7-10-5-3-4-6-11-10/h10-11H,3-7H2,1-2H3
InChIKeyINDKHEXXHYDJLL-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine?
The IUPAC name of 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine (CID 54592632) is 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine?
The canonical SMILES for 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine is Cc1nc(C)n(CC2CCCCN2)n1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine?
The InChIKey is INDKHEXXHYDJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8-12-9(2)14(13-8)7-10-5-3-4-6-11-10/h10-11H,3-7H2,1-2H3.
What are the key properties of 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine?
2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine has a molecular weight of 194.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine is sourced from PubChem (CID 54592632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).