1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-amine

C10H10ClFN4 — CID 107531709

IUPAC1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1-c1cc(F)ccc1Cl
InChIInChI=1S/C10H10ClFN4/c1-2-8-10(13)14-15-16(8)9-5-6(12)3-4-7(9)11/h3-5H,2,13H2,1H3
InChIKeyHNLREYJEDZTGPB-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.20
Rot. Bonds2

About 1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-amine

1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-amine (PubChem CID 107531709) has the molecular formula C10H10ClFN4 and a molecular weight of 240.67 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-amine
PubChem CID107531709
Molecular FormulaC10H10ClFN4
Molecular Weight240.67 g/mol
Exact Mass240.06
IUPAC Name1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1-c1cc(F)ccc1Cl
InChIInChI=1S/C10H10ClFN4/c1-2-8-10(13)14-15-16(8)9-5-6(12)3-4-7(9)11/h3-5H,2,13H2,1H3
InChIKeyHNLREYJEDZTGPB-UHFFFAOYSA-N
XLogP2.20
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-amine (CID 107531709) is 1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-amine is CCc1c(N)nnn1-c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-amine?
The InChIKey is HNLREYJEDZTGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4/c1-2-8-10(13)14-15-16(8)9-5-6(12)3-4-7(9)11/h3-5H,2,13H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-amine?
1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-amine has a molecular weight of 240.67 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-amine is sourced from PubChem (CID 107531709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).