3-[(2-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole

C11H12ClN3 — CID 115394894

IUPAC3-[(2-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1Cc1ccccc1Cl
InChIInChI=1S/C11H12ClN3/c1-2-15-8-13-14-11(15)7-9-5-3-4-6-10(9)12/h3-6,8H,2,7H2,1H3
InChIKeyMRKPMCPEQGPPTB-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.54
Rot. Bonds3

About 3-[(2-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole

3-[(2-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole (PubChem CID 115394894) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole
PubChem CID115394894
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name3-[(2-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1Cc1ccccc1Cl
InChIInChI=1S/C11H12ClN3/c1-2-15-8-13-14-11(15)7-9-5-3-4-6-10(9)12/h3-6,8H,2,7H2,1H3
InChIKeyMRKPMCPEQGPPTB-UHFFFAOYSA-N
XLogP2.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-1,2,4-triazole
CID 115394879
4-ethyl-3-[2-(2-methylphenyl)ethyl]-1,2,4-triazole
CID 115394754
1-(2-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 106302505
1-[(2-chlorophenyl)methyl]-3-ethyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylguanidine
CID 111294681
3-(bromomethyl)-5-[(2-chlorophenyl)methyl]-4-propyl-1,2,4-triazole
CID 113302553
4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine
CID 115394759
3-[(3,4-dichlorophenyl)methyl]-4-propyl-1,2,4-triazole
CID 113301298
3-[(2-chlorophenyl)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
CID 115389548
2-(4-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 62692798
3-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62691967
5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide
CID 19904227
5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxylic acid
CID 19904237

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole (CID 115394894) is 3-[(2-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole is CCn1cnnc1Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole?
The InChIKey is MRKPMCPEQGPPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-2-15-8-13-14-11(15)7-9-5-3-4-6-10(9)12/h3-6,8H,2,7H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole?
3-[(2-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole has a molecular weight of 221.69 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole is sourced from PubChem (CID 115394894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).