4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine

C13H22N4 — CID 63126437

IUPAC4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine
SMILESCCC1(c2nc(C3CC3)nn2C)CCNCC1
InChIInChI=1S/C13H22N4/c1-3-13(6-8-14-9-7-13)12-15-11(10-4-5-10)16-17(12)2/h10,14H,3-9H2,1-2H3
InChIKeyDETGFJVENKEUHF-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.72
Rot. Bonds3

About 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine

4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine (PubChem CID 63126437) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine.

Molecular Properties

Compound Name4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine
PubChem CID63126437
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine
SMILESCCC1(c2nc(C3CC3)nn2C)CCNCC1
InChIInChI=1S/C13H22N4/c1-3-13(6-8-14-9-7-13)12-15-11(10-4-5-10)16-17(12)2/h10,14H,3-9H2,1-2H3
InChIKeyDETGFJVENKEUHF-UHFFFAOYSA-N
XLogP1.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine?
The IUPAC name of 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine (CID 63126437) is 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine.
What is the SMILES notation for 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine?
The canonical SMILES for 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine is CCC1(c2nc(C3CC3)nn2C)CCNCC1.
What is the InChIKey of 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine?
The InChIKey is DETGFJVENKEUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-13(6-8-14-9-7-13)12-15-11(10-4-5-10)16-17(12)2/h10,14H,3-9H2,1-2H3.
What are the key properties of 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine?
4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine has a molecular weight of 234.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine is sourced from PubChem (CID 63126437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).