3-[4-(aminomethyl)triazol-1-yl]-1,1,1-trifluoropropan-2-ol

C6H9F3N4O — CID 63899669

IUPAC3-[4-(aminomethyl)triazol-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESNCc1cn(CC(O)C(F)(F)F)nn1
InChIInChI=1S/C6H9F3N4O/c7-6(8,9)5(14)3-13-2-4(1-10)11-12-13/h2,5,14H,1,3,10H2
InChIKeyBNLUDPVTAJOKGC-UHFFFAOYSA-N
MW210.16 g/mol
LogP-0.34
Rot. Bonds3

About 3-[4-(aminomethyl)triazol-1-yl]-1,1,1-trifluoropropan-2-ol

3-[4-(aminomethyl)triazol-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 63899669) has the molecular formula C6H9F3N4O and a molecular weight of 210.16 g/mol. Its IUPAC name is 3-[4-(aminomethyl)triazol-1-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[4-(aminomethyl)triazol-1-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID63899669
Molecular FormulaC6H9F3N4O
Molecular Weight210.16 g/mol
Exact Mass210.07
IUPAC Name3-[4-(aminomethyl)triazol-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESNCc1cn(CC(O)C(F)(F)F)nn1
InChIInChI=1S/C6H9F3N4O/c7-6(8,9)5(14)3-13-2-4(1-10)11-12-13/h2,5,14H,1,3,10H2
InChIKeyBNLUDPVTAJOKGC-UHFFFAOYSA-N
XLogP-0.34
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-(aminomethyl)triazol-1-yl]-1,1,1-trifluoropropan-2-ol 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 3-[4-(aminomethyl)triazol-1-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[4-(aminomethyl)triazol-1-yl]-1,1,1-trifluoropropan-2-ol (CID 63899669) is 3-[4-(aminomethyl)triazol-1-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[4-(aminomethyl)triazol-1-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[4-(aminomethyl)triazol-1-yl]-1,1,1-trifluoropropan-2-ol is NCc1cn(CC(O)C(F)(F)F)nn1.
What is the InChIKey of 3-[4-(aminomethyl)triazol-1-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is BNLUDPVTAJOKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4O/c7-6(8,9)5(14)3-13-2-4(1-10)11-12-13/h2,5,14H,1,3,10H2.
What are the key properties of 3-[4-(aminomethyl)triazol-1-yl]-1,1,1-trifluoropropan-2-ol?
3-[4-(aminomethyl)triazol-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 210.16 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)triazol-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63899669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).