4-(2-methylphenyl)-3-pyrrolidin-2-yl-1,2,4-triazole

C13H16N4 — CID 82473887

IUPAC4-(2-methylphenyl)-3-pyrrolidin-2-yl-1,2,4-triazole
SMILESCc1ccccc1-n1cnnc1C1CCCN1
InChIInChI=1S/C13H16N4/c1-10-5-2-3-7-12(10)17-9-15-16-13(17)11-6-4-8-14-11/h2-3,5,7,9,11,14H,4,6,8H2,1H3
InChIKeyNGTZTGTXFZGLNP-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.00
Rot. Bonds2

About 4-(2-methylphenyl)-3-pyrrolidin-2-yl-1,2,4-triazole

4-(2-methylphenyl)-3-pyrrolidin-2-yl-1,2,4-triazole (PubChem CID 82473887) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-(2-methylphenyl)-3-pyrrolidin-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-methylphenyl)-3-pyrrolidin-2-yl-1,2,4-triazole
PubChem CID82473887
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-(2-methylphenyl)-3-pyrrolidin-2-yl-1,2,4-triazole
SMILESCc1ccccc1-n1cnnc1C1CCCN1
InChIInChI=1S/C13H16N4/c1-10-5-2-3-7-12(10)17-9-15-16-13(17)11-6-4-8-14-11/h2-3,5,7,9,11,14H,4,6,8H2,1H3
InChIKeyNGTZTGTXFZGLNP-UHFFFAOYSA-N
XLogP2.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703790
4-(4-chlorophenyl)-3-pyrrolidin-2-yl-1,2,4-triazole
CID 82480433
8-methyl-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750908
2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 62406028
2-(4-methyl-1,2,4-triazol-3-yl)azepane
CID 64562303
(2R)-2-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine
CID 104915223
2-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 62406030
4-(2-methoxyethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-triazole
CID 94554648
4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine
CID 116893348
4-(furan-2-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-triazole
CID 82472110
3,8-dimethyl-2-piperidin-2-ylimidazo[1,2-a]pyridine
CID 115037395
(2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine
CID 94552646

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-3-pyrrolidin-2-yl-1,2,4-triazole?
The IUPAC name of 4-(2-methylphenyl)-3-pyrrolidin-2-yl-1,2,4-triazole (CID 82473887) is 4-(2-methylphenyl)-3-pyrrolidin-2-yl-1,2,4-triazole.
What is the SMILES notation for 4-(2-methylphenyl)-3-pyrrolidin-2-yl-1,2,4-triazole?
The canonical SMILES for 4-(2-methylphenyl)-3-pyrrolidin-2-yl-1,2,4-triazole is Cc1ccccc1-n1cnnc1C1CCCN1.
What is the InChIKey of 4-(2-methylphenyl)-3-pyrrolidin-2-yl-1,2,4-triazole?
The InChIKey is NGTZTGTXFZGLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-5-2-3-7-12(10)17-9-15-16-13(17)11-6-4-8-14-11/h2-3,5,7,9,11,14H,4,6,8H2,1H3.
What are the key properties of 4-(2-methylphenyl)-3-pyrrolidin-2-yl-1,2,4-triazole?
4-(2-methylphenyl)-3-pyrrolidin-2-yl-1,2,4-triazole has a molecular weight of 228.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-3-pyrrolidin-2-yl-1,2,4-triazole is sourced from PubChem (CID 82473887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).