1-[5-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-cyclopropylpiperazine

C18H23ClFN5O — CID 146077185

IUPAC1-[5-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-cyclopropylpiperazine
SMILESCOCCn1c(-c2cc(Cl)ccc2F)nnc1N1CCN(C2CC2)CC1
InChIInChI=1S/C18H23ClFN5O/c1-26-11-10-25-17(15-12-13(19)2-5-16(15)20)21-22-18(25)24-8-6-23(7-9-24)14-3-4-14/h2,5,12,14H,3-4,6-11H2,1H3
InChIKeyCXTQHEHPFWBVMO-UHFFFAOYSA-N
MW379.87 g/mol
LogP2.67
Rot. Bonds6

About 1-[5-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-cyclopropylpiperazine

1-[5-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-cyclopropylpiperazine (PubChem CID 146077185) has the molecular formula C18H23ClFN5O and a molecular weight of 379.87 g/mol. Its IUPAC name is 1-[5-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-cyclopropylpiperazine.

Molecular Properties

Compound Name1-[5-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-cyclopropylpiperazine
PubChem CID146077185
Molecular FormulaC18H23ClFN5O
Molecular Weight379.87 g/mol
Exact Mass379.16
IUPAC Name1-[5-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-cyclopropylpiperazine
SMILESCOCCn1c(-c2cc(Cl)ccc2F)nnc1N1CCN(C2CC2)CC1
InChIInChI=1S/C18H23ClFN5O/c1-26-11-10-25-17(15-12-13(19)2-5-16(15)20)21-22-18(25)24-8-6-23(7-9-24)14-3-4-14/h2,5,12,14H,3-4,6-11H2,1H3
InChIKeyCXTQHEHPFWBVMO-UHFFFAOYSA-N
XLogP2.67
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-cyclopropylpiperazine with MolForge

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Related Compounds

3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301025
3-(chloromethyl)-5-(2,5-dichlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115397493
[5-(5-chloro-2-fluorophenyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
CID 112593158
3-(chloromethyl)-5-(2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115397456
3-(5-chloro-2-fluorophenyl)-5-(chloromethyl)-4-propyl-1,2,4-triazole
CID 113302114
3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 4878079
1-cyclopropyl-4-(2-methoxyethyl)piperazine
CID 153207861
3-(2-bromo-3-fluorophenyl)-5-(chloromethyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115397450
3-(chloromethyl)-5-(2-fluoro-4-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 102885859
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114849168
5-chloro-2-(4-cyclopropylpiperazin-1-yl)benzenecarbothioamide
CID 55078417
3-(chloromethyl)-5-(4-chloro-2-nitrophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115397524

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-cyclopropylpiperazine?
The IUPAC name of 1-[5-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-cyclopropylpiperazine (CID 146077185) is 1-[5-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-cyclopropylpiperazine.
What is the SMILES notation for 1-[5-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-cyclopropylpiperazine?
The canonical SMILES for 1-[5-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-cyclopropylpiperazine is COCCn1c(-c2cc(Cl)ccc2F)nnc1N1CCN(C2CC2)CC1.
What is the InChIKey of 1-[5-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-cyclopropylpiperazine?
The InChIKey is CXTQHEHPFWBVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClFN5O/c1-26-11-10-25-17(15-12-13(19)2-5-16(15)20)21-22-18(25)24-8-6-23(7-9-24)14-3-4-14/h2,5,12,14H,3-4,6-11H2,1H3.
What are the key properties of 1-[5-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-cyclopropylpiperazine?
1-[5-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-cyclopropylpiperazine has a molecular weight of 379.87 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-cyclopropylpiperazine is sourced from PubChem (CID 146077185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).