3-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]triazol-1-yl]propan-1-ol

C10H15F3N4O — CID 106209939

IUPAC3-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNC2(C(F)(F)F)CC2)nn1
InChIInChI=1S/C10H15F3N4O/c11-10(12,13)9(2-3-9)14-6-8-7-17(16-15-8)4-1-5-18/h7,14,18H,1-6H2
InChIKeyDRHZGFWMOORKMZ-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.85
Rot. Bonds6

About 3-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]triazol-1-yl]propan-1-ol

3-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]triazol-1-yl]propan-1-ol (PubChem CID 106209939) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 3-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]triazol-1-yl]propan-1-ol
PubChem CID106209939
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name3-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNC2(C(F)(F)F)CC2)nn1
InChIInChI=1S/C10H15F3N4O/c11-10(12,13)9(2-3-9)14-6-8-7-17(16-15-8)4-1-5-18/h7,14,18H,1-6H2
InChIKeyDRHZGFWMOORKMZ-UHFFFAOYSA-N
XLogP0.85
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]triazol-1-yl]propan-1-ol (CID 106209939) is 3-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]triazol-1-yl]propan-1-ol is OCCCn1cc(CNC2(C(F)(F)F)CC2)nn1.
What is the InChIKey of 3-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]triazol-1-yl]propan-1-ol?
The InChIKey is DRHZGFWMOORKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c11-10(12,13)9(2-3-9)14-6-8-7-17(16-15-8)4-1-5-18/h7,14,18H,1-6H2.
What are the key properties of 3-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]triazol-1-yl]propan-1-ol?
3-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]triazol-1-yl]propan-1-ol has a molecular weight of 264.25 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 106209939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).