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

C11H18N4 — CID 79606456

IUPAC4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidine
SMILESC1CC(Cc2nc(C3CC3)n[nH]2)CCN1
InChIInChI=1S/C11H18N4/c1-2-9(1)11-13-10(14-15-11)7-8-3-5-12-6-4-8/h8-9,12H,1-7H2,(H,13,14,15)
InChIKeyLGRWBLUILHHYOH-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.22
Rot. Bonds3

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

4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidine (PubChem CID 79606456) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidine
PubChem CID79606456
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidine
SMILESC1CC(Cc2nc(C3CC3)n[nH]2)CCN1
InChIInChI=1S/C11H18N4/c1-2-9(1)11-13-10(14-15-11)7-8-3-5-12-6-4-8/h8-9,12H,1-7H2,(H,13,14,15)
InChIKeyLGRWBLUILHHYOH-UHFFFAOYSA-N
XLogP1.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidine?
The IUPAC name of 4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidine (CID 79606456) is 4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidine.
What is the SMILES notation for 4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidine?
The canonical SMILES for 4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidine is C1CC(Cc2nc(C3CC3)n[nH]2)CCN1.
What is the InChIKey of 4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidine?
The InChIKey is LGRWBLUILHHYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-2-9(1)11-13-10(14-15-11)7-8-3-5-12-6-4-8/h8-9,12H,1-7H2,(H,13,14,15).
What are the key properties of 4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidine?
4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidine has a molecular weight of 206.29 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidine is sourced from PubChem (CID 79606456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).