1-(3-chloro-2-fluorophenyl)-5-ethyltriazol-4-amine

C10H10ClFN4 — CID 79502999

IUPAC1-(3-chloro-2-fluorophenyl)-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1-c1cccc(Cl)c1F
InChIInChI=1S/C10H10ClFN4/c1-2-7-10(13)14-15-16(7)8-5-3-4-6(11)9(8)12/h3-5H,2,13H2,1H3
InChIKeyLCGFMVDPVHWBNX-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.20
Rot. Bonds2

About 1-(3-chloro-2-fluorophenyl)-5-ethyltriazol-4-amine

1-(3-chloro-2-fluorophenyl)-5-ethyltriazol-4-amine (PubChem CID 79502999) has the molecular formula C10H10ClFN4 and a molecular weight of 240.67 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-5-ethyltriazol-4-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-5-ethyltriazol-4-amine
PubChem CID79502999
Molecular FormulaC10H10ClFN4
Molecular Weight240.67 g/mol
Exact Mass240.06
IUPAC Name1-(3-chloro-2-fluorophenyl)-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1-c1cccc(Cl)c1F
InChIInChI=1S/C10H10ClFN4/c1-2-7-10(13)14-15-16(7)8-5-3-4-6(11)9(8)12/h3-5H,2,13H2,1H3
InChIKeyLCGFMVDPVHWBNX-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-(3-chloro-2-fluorophenyl)-5-ethyltriazol-4-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-ethyltriazol-4-amine (CID 79502999) is 1-(3-chloro-2-fluorophenyl)-5-ethyltriazol-4-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-5-ethyltriazol-4-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-5-ethyltriazol-4-amine is CCc1c(N)nnn1-c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-5-ethyltriazol-4-amine?
The InChIKey is LCGFMVDPVHWBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4/c1-2-7-10(13)14-15-16(7)8-5-3-4-6(11)9(8)12/h3-5H,2,13H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-5-ethyltriazol-4-amine?
1-(3-chloro-2-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-(3-chloro-2-fluorophenyl)-5-ethyltriazol-4-amine is sourced from PubChem (CID 79502999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).