1-(2-ethyl-4,4-difluorobutyl)triazol-4-amine

C8H14F2N4 — CID 165481335

IUPAC1-(2-ethyl-4,4-difluorobutyl)triazol-4-amine
SMILESCCC(CC(F)F)Cn1cc(N)nn1
InChIInChI=1S/C8H14F2N4/c1-2-6(3-7(9)10)4-14-5-8(11)12-13-14/h5-7H,2-4,11H2,1H3
InChIKeyKJHSJMOQEMDQNH-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.54
Rot. Bonds5

About 1-(2-ethyl-4,4-difluorobutyl)triazol-4-amine

1-(2-ethyl-4,4-difluorobutyl)triazol-4-amine (PubChem CID 165481335) has the molecular formula C8H14F2N4 and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-(2-ethyl-4,4-difluorobutyl)triazol-4-amine.

Molecular Properties

Compound Name1-(2-ethyl-4,4-difluorobutyl)triazol-4-amine
PubChem CID165481335
Molecular FormulaC8H14F2N4
Molecular Weight204.22 g/mol
Exact Mass204.12
IUPAC Name1-(2-ethyl-4,4-difluorobutyl)triazol-4-amine
SMILESCCC(CC(F)F)Cn1cc(N)nn1
InChIInChI=1S/C8H14F2N4/c1-2-6(3-7(9)10)4-14-5-8(11)12-13-14/h5-7H,2-4,11H2,1H3
InChIKeyKJHSJMOQEMDQNH-UHFFFAOYSA-N
XLogP1.54
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4,4-difluorobutyl)triazol-4-amine?
The IUPAC name of 1-(2-ethyl-4,4-difluorobutyl)triazol-4-amine (CID 165481335) is 1-(2-ethyl-4,4-difluorobutyl)triazol-4-amine.
What is the SMILES notation for 1-(2-ethyl-4,4-difluorobutyl)triazol-4-amine?
The canonical SMILES for 1-(2-ethyl-4,4-difluorobutyl)triazol-4-amine is CCC(CC(F)F)Cn1cc(N)nn1.
What is the InChIKey of 1-(2-ethyl-4,4-difluorobutyl)triazol-4-amine?
The InChIKey is KJHSJMOQEMDQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N4/c1-2-6(3-7(9)10)4-14-5-8(11)12-13-14/h5-7H,2-4,11H2,1H3.
What are the key properties of 1-(2-ethyl-4,4-difluorobutyl)triazol-4-amine?
1-(2-ethyl-4,4-difluorobutyl)triazol-4-amine has a molecular weight of 204.22 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4,4-difluorobutyl)triazol-4-amine is sourced from PubChem (CID 165481335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).