3-chloro-5-ethyl-4-(2-phenylethyl)-1,2,4-triazole

C12H14ClN3 — CID 63384637

IUPAC3-chloro-5-ethyl-4-(2-phenylethyl)-1,2,4-triazole
SMILESCCc1nnc(Cl)n1CCc1ccccc1
InChIInChI=1S/C12H14ClN3/c1-2-11-14-15-12(13)16(11)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyQJXPVKHVMUJBKL-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.74
Rot. Bonds4

About 3-chloro-5-ethyl-4-(2-phenylethyl)-1,2,4-triazole

3-chloro-5-ethyl-4-(2-phenylethyl)-1,2,4-triazole (PubChem CID 63384637) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 3-chloro-5-ethyl-4-(2-phenylethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-ethyl-4-(2-phenylethyl)-1,2,4-triazole
PubChem CID63384637
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name3-chloro-5-ethyl-4-(2-phenylethyl)-1,2,4-triazole
SMILESCCc1nnc(Cl)n1CCc1ccccc1
InChIInChI=1S/C12H14ClN3/c1-2-11-14-15-12(13)16(11)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyQJXPVKHVMUJBKL-UHFFFAOYSA-N
XLogP2.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(2-phenylethyl)-5-propan-2-yl-1,2,4-triazole
CID 63384684
2-[[5-ethyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 29075231
3-chloro-5-cyclopropyl-4-(2-phenylethyl)-1,2,4-triazole
CID 55184754
3-chloro-5-ethyl-4-[(3-methylphenyl)methyl]-1,2,4-triazole
CID 63385767
3-chloro-5-ethyl-4-[(3-fluorophenyl)methyl]-1,2,4-triazole
CID 63384652
3-chloro-5-ethyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 63385114
4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine
CID 175917505
3-chloro-5-methyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole
CID 63385719
3-benzyl-5-phenyl-4-(2-phenylethyl)-1,2,4-triazole
CID 86058172
5-(azaniumylmethyl)-4-(2-phenylethyl)-1,2,4-triazole-3-thiolate
CID 30935241
ethyl 5-amino-2-ethyl-3-(2-phenylethyl)imidazole-4-carboxylate
CID 174556727
3-benzylsulfanyl-4,5-diethyl-1,2,4-triazole
CID 28563943

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethyl-4-(2-phenylethyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-ethyl-4-(2-phenylethyl)-1,2,4-triazole (CID 63384637) is 3-chloro-5-ethyl-4-(2-phenylethyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-ethyl-4-(2-phenylethyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-ethyl-4-(2-phenylethyl)-1,2,4-triazole is CCc1nnc(Cl)n1CCc1ccccc1.
What is the InChIKey of 3-chloro-5-ethyl-4-(2-phenylethyl)-1,2,4-triazole?
The InChIKey is QJXPVKHVMUJBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-2-11-14-15-12(13)16(11)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of 3-chloro-5-ethyl-4-(2-phenylethyl)-1,2,4-triazole?
3-chloro-5-ethyl-4-(2-phenylethyl)-1,2,4-triazole has a molecular weight of 235.72 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethyl-4-(2-phenylethyl)-1,2,4-triazole is sourced from PubChem (CID 63384637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).