5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole

C13H16N4 — CID 115036794

IUPAC5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole
SMILESc1ccc(-c2cnnn2CC2CCNC2)cc1
InChIInChI=1S/C13H16N4/c1-2-4-12(5-3-1)13-9-15-16-17(13)10-11-6-7-14-8-11/h1-5,9,11,14H,6-8,10H2
InChIKeyJDWQZNDJLDRUAU-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.55
Rot. Bonds3

About 5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole

5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole (PubChem CID 115036794) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole.

Molecular Properties

Compound Name5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole
PubChem CID115036794
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole
SMILESc1ccc(-c2cnnn2CC2CCNC2)cc1
InChIInChI=1S/C13H16N4/c1-2-4-12(5-3-1)13-9-15-16-17(13)10-11-6-7-14-8-11/h1-5,9,11,14H,6-8,10H2
InChIKeyJDWQZNDJLDRUAU-UHFFFAOYSA-N
XLogP1.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole with MolForge

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

Launch Full Analysis

Related Compounds

3-[(5-phenyltriazol-1-yl)methyl]piperidine
CID 115044790
5-methyl-1-(pyrrolidin-3-ylmethyl)triazole
CID 115013206
4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 55113009
5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 117231908
4-[(5-bromotriazol-1-yl)methyl]piperidine
CID 84802804
1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole
CID 115044405
4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
CID 115036269
4-phenyl-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole
CID 115036737
6-phenyl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 66510167
4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidine
CID 22248364
1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride
CID 56831723
3-(4-phenoxyphenyl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[3,4-d]pyrimidine
CID 130426843

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole?
The IUPAC name of 5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole (CID 115036794) is 5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole.
What is the SMILES notation for 5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole?
The canonical SMILES for 5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole is c1ccc(-c2cnnn2CC2CCNC2)cc1.
What is the InChIKey of 5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole?
The InChIKey is JDWQZNDJLDRUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-4-12(5-3-1)13-9-15-16-17(13)10-11-6-7-14-8-11/h1-5,9,11,14H,6-8,10H2.
What are the key properties of 5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole?
5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole has a molecular weight of 228.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole is sourced from PubChem (CID 115036794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).