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

C11H20N4 — CID 62691975

IUPAC3-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCCCn1cnnc1CC1CCCNC1
InChIInChI=1S/C11H20N4/c1-2-6-15-9-13-14-11(15)7-10-4-3-5-12-8-10/h9-10,12H,2-8H2,1H3
InChIKeyBQLSPBFRCCBYDP-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.23
Rot. Bonds4

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

3-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 62691975) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID62691975
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCCCn1cnnc1CC1CCCNC1
InChIInChI=1S/C11H20N4/c1-2-6-15-9-13-14-11(15)7-10-4-3-5-12-8-10/h9-10,12H,2-8H2,1H3
InChIKeyBQLSPBFRCCBYDP-UHFFFAOYSA-N
XLogP1.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 3-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine (CID 62691975) is 3-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 3-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 3-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine is CCCn1cnnc1CC1CCCNC1.
What is the InChIKey of 3-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is BQLSPBFRCCBYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-6-15-9-13-14-11(15)7-10-4-3-5-12-8-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 3-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
3-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 208.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 62691975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).