1-(2,2-difluoroethyl)-5-propan-2-yltriazol-4-amine

C7H12F2N4 — CID 79542458

IUPAC1-(2,2-difluoroethyl)-5-propan-2-yltriazol-4-amine
SMILESCC(C)c1c(N)nnn1CC(F)F
InChIInChI=1S/C7H12F2N4/c1-4(2)6-7(10)11-12-13(6)3-5(8)9/h4-5H,3,10H2,1-2H3
InChIKeyCNSAYDSPYYTJDY-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.25
Rot. Bonds3

About 1-(2,2-difluoroethyl)-5-propan-2-yltriazol-4-amine

1-(2,2-difluoroethyl)-5-propan-2-yltriazol-4-amine (PubChem CID 79542458) has the molecular formula C7H12F2N4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-5-propan-2-yltriazol-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-5-propan-2-yltriazol-4-amine
PubChem CID79542458
Molecular FormulaC7H12F2N4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name1-(2,2-difluoroethyl)-5-propan-2-yltriazol-4-amine
SMILESCC(C)c1c(N)nnn1CC(F)F
InChIInChI=1S/C7H12F2N4/c1-4(2)6-7(10)11-12-13(6)3-5(8)9/h4-5H,3,10H2,1-2H3
InChIKeyCNSAYDSPYYTJDY-UHFFFAOYSA-N
XLogP1.25
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-difluoroethyl)-5-propan-2-yltriazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-5-propan-2-yltriazol-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-5-propan-2-yltriazol-4-amine (CID 79542458) is 1-(2,2-difluoroethyl)-5-propan-2-yltriazol-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-5-propan-2-yltriazol-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-5-propan-2-yltriazol-4-amine is CC(C)c1c(N)nnn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-5-propan-2-yltriazol-4-amine?
The InChIKey is CNSAYDSPYYTJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N4/c1-4(2)6-7(10)11-12-13(6)3-5(8)9/h4-5H,3,10H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-5-propan-2-yltriazol-4-amine?
1-(2,2-difluoroethyl)-5-propan-2-yltriazol-4-amine has a molecular weight of 190.20 g/mol, XLogP of 1.25, 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-propan-2-yltriazol-4-amine is sourced from PubChem (CID 79542458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).