4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole

C14H18N4 — CID 117358210

IUPAC4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole
SMILESCc1cnn(-c2cccc(CC3CCCN3)c2)n1
InChIInChI=1S/C14H18N4/c1-11-10-16-18(17-11)14-6-2-4-12(9-14)8-13-5-3-7-15-13/h2,4,6,9-10,13,15H,3,5,7-8H2,1H3
InChIKeyZYAIUUPBGGHBQZ-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.87
Rot. Bonds3

About 4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole

4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole (PubChem CID 117358210) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole.

Molecular Properties

Compound Name4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole
PubChem CID117358210
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole
SMILESCc1cnn(-c2cccc(CC3CCCN3)c2)n1
InChIInChI=1S/C14H18N4/c1-11-10-16-18(17-11)14-6-2-4-12(9-14)8-13-5-3-7-15-13/h2,4,6,9-10,13,15H,3,5,7-8H2,1H3
InChIKeyZYAIUUPBGGHBQZ-UHFFFAOYSA-N
XLogP1.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazole
CID 117355719
1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one
CID 117431510
5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole
CID 117422199
1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one
CID 117365583
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol
CID 115054088
2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine
CID 117351207
2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine
CID 117359786
4-benzyl-1-phenyl-5-(pyrrolidin-2-ylmethyl)pyrazole
CID 115053884
4-methyl-1-[3-(piperidin-2-ylmethyl)phenyl]piperazin-2-one
CID 117464076
1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole
CID 166362211
2-methyl-6-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine
CID 84784857

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole?
The IUPAC name of 4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole (CID 117358210) is 4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole.
What is the SMILES notation for 4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole?
The canonical SMILES for 4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole is Cc1cnn(-c2cccc(CC3CCCN3)c2)n1.
What is the InChIKey of 4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole?
The InChIKey is ZYAIUUPBGGHBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-10-16-18(17-11)14-6-2-4-12(9-14)8-13-5-3-7-15-13/h2,4,6,9-10,13,15H,3,5,7-8H2,1H3.
What are the key properties of 4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole?
4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole has a molecular weight of 242.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole is sourced from PubChem (CID 117358210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).