1-(2,2-difluoroethyl)-5-ethyltriazol-4-amine

C6H10F2N4 — CID 79543211

IUPAC1-(2,2-difluoroethyl)-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1CC(F)F
InChIInChI=1S/C6H10F2N4/c1-2-4-6(9)10-11-12(4)3-5(7)8/h5H,2-3,9H2,1H3
InChIKeyRBMZXGZAIZUGCD-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.69
Rot. Bonds3

About 1-(2,2-difluoroethyl)-5-ethyltriazol-4-amine

1-(2,2-difluoroethyl)-5-ethyltriazol-4-amine (PubChem CID 79543211) has the molecular formula C6H10F2N4 and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-5-ethyltriazol-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-5-ethyltriazol-4-amine
PubChem CID79543211
Molecular FormulaC6H10F2N4
Molecular Weight176.17 g/mol
Exact Mass176.09
IUPAC Name1-(2,2-difluoroethyl)-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1CC(F)F
InChIInChI=1S/C6H10F2N4/c1-2-4-6(9)10-11-12(4)3-5(7)8/h5H,2-3,9H2,1H3
InChIKeyRBMZXGZAIZUGCD-UHFFFAOYSA-N
XLogP0.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-5-ethyltriazol-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-5-ethyltriazol-4-amine (CID 79543211) is 1-(2,2-difluoroethyl)-5-ethyltriazol-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-5-ethyltriazol-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-5-ethyltriazol-4-amine is CCc1c(N)nnn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-5-ethyltriazol-4-amine?
The InChIKey is RBMZXGZAIZUGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N4/c1-2-4-6(9)10-11-12(4)3-5(7)8/h5H,2-3,9H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-5-ethyltriazol-4-amine?
1-(2,2-difluoroethyl)-5-ethyltriazol-4-amine has a molecular weight of 176.17 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-5-ethyltriazol-4-amine is sourced from PubChem (CID 79543211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).