5-pyrrolidin-3-yl-4H-triazole

C6H10N4 — CID 58438948

IUPAC5-pyrrolidin-3-yl-4H-triazole
SMILESC1CC(C2=NN=NC2)CN1
InChIInChI=1S/C6H10N4/c1-2-7-3-5(1)6-4-8-10-9-6/h5,7H,1-4H2
InChIKeyGPSHRKHTWMDPNH-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.42
Rot. Bonds1

About 5-pyrrolidin-3-yl-4H-triazole

5-pyrrolidin-3-yl-4H-triazole (PubChem CID 58438948) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-pyrrolidin-3-yl-4H-triazole.

Molecular Properties

Compound Name5-pyrrolidin-3-yl-4H-triazole
PubChem CID58438948
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name5-pyrrolidin-3-yl-4H-triazole
SMILESC1CC(C2=NN=NC2)CN1
InChIInChI=1S/C6H10N4/c1-2-7-3-5(1)6-4-8-10-9-6/h5,7H,1-4H2
InChIKeyGPSHRKHTWMDPNH-UHFFFAOYSA-N
XLogP0.42
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-pyrrolidin-3-yl-4H-triazole 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 5-pyrrolidin-3-yl-4H-triazole?
The IUPAC name of 5-pyrrolidin-3-yl-4H-triazole (CID 58438948) is 5-pyrrolidin-3-yl-4H-triazole.
What is the SMILES notation for 5-pyrrolidin-3-yl-4H-triazole?
The canonical SMILES for 5-pyrrolidin-3-yl-4H-triazole is C1CC(C2=NN=NC2)CN1.
What is the InChIKey of 5-pyrrolidin-3-yl-4H-triazole?
The InChIKey is GPSHRKHTWMDPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-2-7-3-5(1)6-4-8-10-9-6/h5,7H,1-4H2.
What are the key properties of 5-pyrrolidin-3-yl-4H-triazole?
5-pyrrolidin-3-yl-4H-triazole has a molecular weight of 138.17 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-3-yl-4H-triazole is sourced from PubChem (CID 58438948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).