3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-3-propylpiperidine

C17H24N4 — CID 63135950

IUPAC3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-3-propylpiperidine
SMILESCCCC1(c2nc(-c3ccccc3)nn2C)CCCNC1
InChIInChI=1S/C17H24N4/c1-3-10-17(11-7-12-18-13-17)16-19-15(20-21(16)2)14-8-5-4-6-9-14/h4-6,8-9,18H,3,7,10-13H2,1-2H3
InChIKeyXEPRUOINRWDKCY-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.90
Rot. Bonds4

About 3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-3-propylpiperidine

3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-3-propylpiperidine (PubChem CID 63135950) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-3-propylpiperidine.

Molecular Properties

Compound Name3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-3-propylpiperidine
PubChem CID63135950
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-3-propylpiperidine
SMILESCCCC1(c2nc(-c3ccccc3)nn2C)CCCNC1
InChIInChI=1S/C17H24N4/c1-3-10-17(11-7-12-18-13-17)16-19-15(20-21(16)2)14-8-5-4-6-9-14/h4-6,8-9,18H,3,7,10-13H2,1-2H3
InChIKeyXEPRUOINRWDKCY-UHFFFAOYSA-N
XLogP2.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-3-propylpiperidine?
The IUPAC name of 3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-3-propylpiperidine (CID 63135950) is 3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-3-propylpiperidine.
What is the SMILES notation for 3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-3-propylpiperidine?
The canonical SMILES for 3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-3-propylpiperidine is CCCC1(c2nc(-c3ccccc3)nn2C)CCCNC1.
What is the InChIKey of 3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-3-propylpiperidine?
The InChIKey is XEPRUOINRWDKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-10-17(11-7-12-18-13-17)16-19-15(20-21(16)2)14-8-5-4-6-9-14/h4-6,8-9,18H,3,7,10-13H2,1-2H3.
What are the key properties of 3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-3-propylpiperidine?
3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-3-propylpiperidine has a molecular weight of 284.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-3-propylpiperidine is sourced from PubChem (CID 63135950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).