1-[2-chloro-6-(1,2,4-triazol-4-yl)phenyl]-4-ethylpiperazine

C14H18ClN5 — CID 50953550

IUPAC1-[2-chloro-6-(1,2,4-triazol-4-yl)phenyl]-4-ethylpiperazine
SMILESCCN1CCN(c2c(Cl)cccc2-n2cnnc2)CC1
InChIInChI=1S/C14H18ClN5/c1-2-18-6-8-19(9-7-18)14-12(15)4-3-5-13(14)20-10-16-17-11-20/h3-5,10-11H,2,6-9H2,1H3
InChIKeyZQIMNGXEUQXAQN-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.06
Rot. Bonds3

About 1-[2-chloro-6-(1,2,4-triazol-4-yl)phenyl]-4-ethylpiperazine

1-[2-chloro-6-(1,2,4-triazol-4-yl)phenyl]-4-ethylpiperazine (PubChem CID 50953550) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 1-[2-chloro-6-(1,2,4-triazol-4-yl)phenyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[2-chloro-6-(1,2,4-triazol-4-yl)phenyl]-4-ethylpiperazine
PubChem CID50953550
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name1-[2-chloro-6-(1,2,4-triazol-4-yl)phenyl]-4-ethylpiperazine
SMILESCCN1CCN(c2c(Cl)cccc2-n2cnnc2)CC1
InChIInChI=1S/C14H18ClN5/c1-2-18-6-8-19(9-7-18)14-12(15)4-3-5-13(14)20-10-16-17-11-20/h3-5,10-11H,2,6-9H2,1H3
InChIKeyZQIMNGXEUQXAQN-UHFFFAOYSA-N
XLogP2.06
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(1,2,4-triazol-4-yl)phenyl]-4-ethylpiperazine?
The IUPAC name of 1-[2-chloro-6-(1,2,4-triazol-4-yl)phenyl]-4-ethylpiperazine (CID 50953550) is 1-[2-chloro-6-(1,2,4-triazol-4-yl)phenyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[2-chloro-6-(1,2,4-triazol-4-yl)phenyl]-4-ethylpiperazine?
The canonical SMILES for 1-[2-chloro-6-(1,2,4-triazol-4-yl)phenyl]-4-ethylpiperazine is CCN1CCN(c2c(Cl)cccc2-n2cnnc2)CC1.
What is the InChIKey of 1-[2-chloro-6-(1,2,4-triazol-4-yl)phenyl]-4-ethylpiperazine?
The InChIKey is ZQIMNGXEUQXAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-2-18-6-8-19(9-7-18)14-12(15)4-3-5-13(14)20-10-16-17-11-20/h3-5,10-11H,2,6-9H2,1H3.
What are the key properties of 1-[2-chloro-6-(1,2,4-triazol-4-yl)phenyl]-4-ethylpiperazine?
1-[2-chloro-6-(1,2,4-triazol-4-yl)phenyl]-4-ethylpiperazine has a molecular weight of 291.79 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(1,2,4-triazol-4-yl)phenyl]-4-ethylpiperazine is sourced from PubChem (CID 50953550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).