1,1,1-trifluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol

C7H11F3N4O — CID 103739293

IUPAC1,1,1-trifluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol
SMILESCn1nncc1CNCC(O)C(F)(F)F
InChIInChI=1S/C7H11F3N4O/c1-14-5(3-12-13-14)2-11-4-6(15)7(8,9)10/h3,6,11,15H,2,4H2,1H3
InChIKeyKIUHHRCUDCKXMK-UHFFFAOYSA-N
MW224.19 g/mol
LogP-0.17
Rot. Bonds4

About 1,1,1-trifluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol

1,1,1-trifluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol (PubChem CID 103739293) has the molecular formula C7H11F3N4O and a molecular weight of 224.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol
PubChem CID103739293
Molecular FormulaC7H11F3N4O
Molecular Weight224.19 g/mol
Exact Mass224.09
IUPAC Name1,1,1-trifluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol
SMILESCn1nncc1CNCC(O)C(F)(F)F
InChIInChI=1S/C7H11F3N4O/c1-14-5(3-12-13-14)2-11-4-6(15)7(8,9)10/h3,6,11,15H,2,4H2,1H3
InChIKeyKIUHHRCUDCKXMK-UHFFFAOYSA-N
XLogP-0.17
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol (CID 103739293) is 1,1,1-trifluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol is Cn1nncc1CNCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol?
The InChIKey is KIUHHRCUDCKXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4O/c1-14-5(3-12-13-14)2-11-4-6(15)7(8,9)10/h3,6,11,15H,2,4H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol?
1,1,1-trifluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol has a molecular weight of 224.19 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 103739293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).