3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole

C10H10ClN3 — CID 46398001

IUPAC3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole
SMILESCCc1nc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C10H10ClN3/c1-2-9-12-10(14-13-9)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyGIEPTGNPUWLGDG-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.69
Rot. Bonds2

About 3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole

3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole (PubChem CID 46398001) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole
PubChem CID46398001
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole
SMILESCCc1nc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C10H10ClN3/c1-2-9-12-10(14-13-9)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyGIEPTGNPUWLGDG-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]methanol
CID 79600353
1-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methylmethanamine
CID 82569006
5-butyl-3-[3-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-1,2,4-triazole
CID 169210060
3-(2,4-dichlorophenyl)-5-ethyl-1H-1,2,4-triazole
CID 61278120
3-chloro-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 61353986
2-chloro-5-[5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]aniline
CID 82568721
4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-fluoroaniline
CID 63187974
5-(chloromethyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
CID 79601243
6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875217
5-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-2-methylaniline
CID 66487206
3-(4-chlorophenyl)-5-propyl-1H-1,2,4-triazole
CID 61338485
N,N-dimethyl-3-(5-propyl-1H-1,2,4-triazol-3-yl)aniline
CID 61337119

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole?
The IUPAC name of 3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole (CID 46398001) is 3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole is CCc1nc(-c2cccc(Cl)c2)n[nH]1.
What is the InChIKey of 3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole?
The InChIKey is GIEPTGNPUWLGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-2-9-12-10(14-13-9)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3,(H,12,13,14).
What are the key properties of 3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole?
3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole has a molecular weight of 207.66 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole is sourced from PubChem (CID 46398001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).