1-(3,4-difluorophenyl)-5-ethyltriazol-4-amine

C10H10F2N4 — CID 79501177

IUPAC1-(3,4-difluorophenyl)-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1-c1ccc(F)c(F)c1
InChIInChI=1S/C10H10F2N4/c1-2-9-10(13)14-15-16(9)6-3-4-7(11)8(12)5-6/h3-5H,2,13H2,1H3
InChIKeyOKLQEUZHYBYBHP-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.69
Rot. Bonds2

About 1-(3,4-difluorophenyl)-5-ethyltriazol-4-amine

1-(3,4-difluorophenyl)-5-ethyltriazol-4-amine (PubChem CID 79501177) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-5-ethyltriazol-4-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-5-ethyltriazol-4-amine
PubChem CID79501177
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name1-(3,4-difluorophenyl)-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1-c1ccc(F)c(F)c1
InChIInChI=1S/C10H10F2N4/c1-2-9-10(13)14-15-16(9)6-3-4-7(11)8(12)5-6/h3-5H,2,13H2,1H3
InChIKeyOKLQEUZHYBYBHP-UHFFFAOYSA-N
XLogP1.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-5-ethyltriazol-4-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-5-ethyltriazol-4-amine (CID 79501177) is 1-(3,4-difluorophenyl)-5-ethyltriazol-4-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-5-ethyltriazol-4-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-5-ethyltriazol-4-amine is CCc1c(N)nnn1-c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-5-ethyltriazol-4-amine?
The InChIKey is OKLQEUZHYBYBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/c1-2-9-10(13)14-15-16(9)6-3-4-7(11)8(12)5-6/h3-5H,2,13H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-5-ethyltriazol-4-amine?
1-(3,4-difluorophenyl)-5-ethyltriazol-4-amine has a molecular weight of 224.21 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-5-ethyltriazol-4-amine is sourced from PubChem (CID 79501177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).