3-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]triazol-1-yl]propan-1-ol

C10H17F3N4O — CID 114130168

IUPAC3-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
SMILESCC(CC(F)(F)F)NCc1cn(CCCO)nn1
InChIInChI=1S/C10H17F3N4O/c1-8(5-10(11,12)13)14-6-9-7-17(16-15-9)3-2-4-18/h7-8,14,18H,2-6H2,1H3
InChIKeyMRBGPYVUINZJPT-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.09
Rot. Bonds7

About 3-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]triazol-1-yl]propan-1-ol

3-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]triazol-1-yl]propan-1-ol (PubChem CID 114130168) has the molecular formula C10H17F3N4O and a molecular weight of 266.27 g/mol. Its IUPAC name is 3-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
PubChem CID114130168
Molecular FormulaC10H17F3N4O
Molecular Weight266.27 g/mol
Exact Mass266.14
IUPAC Name3-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
SMILESCC(CC(F)(F)F)NCc1cn(CCCO)nn1
InChIInChI=1S/C10H17F3N4O/c1-8(5-10(11,12)13)14-6-9-7-17(16-15-9)3-2-4-18/h7-8,14,18H,2-6H2,1H3
InChIKeyMRBGPYVUINZJPT-UHFFFAOYSA-N
XLogP1.09
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-Tert-butyltriazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 103527702
N-[[1-(difluoromethyl)triazol-4-yl]methyl]propan-2-amine
CID 172205535
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 55073206
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 55073252
N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 55073710
N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 55073868
N-methyl-1-[1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]triazol-4-yl]methanamine
CID 55077557
[1-[3-(2,2,2-Trifluoroethoxy)propyl]triazol-4-yl]methanamine
CID 62055315
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 62426250
N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62426485
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62426486
N-[[1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62426487

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]triazol-1-yl]propan-1-ol (CID 114130168) is 3-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]triazol-1-yl]propan-1-ol is CC(CC(F)(F)F)NCc1cn(CCCO)nn1.
What is the InChIKey of 3-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is MRBGPYVUINZJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O/c1-8(5-10(11,12)13)14-6-9-7-17(16-15-9)3-2-4-18/h7-8,14,18H,2-6H2,1H3.
What are the key properties of 3-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]triazol-1-yl]propan-1-ol?
3-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 266.27 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 114130168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).