3-amino-1,1,1-trifluoro-2-(1-methyltriazol-4-yl)propan-2-ol

C6H9F3N4O — CID 130603078

IUPAC3-amino-1,1,1-trifluoro-2-(1-methyltriazol-4-yl)propan-2-ol
SMILESCn1cc(C(O)(CN)C(F)(F)F)nn1
InChIInChI=1S/C6H9F3N4O/c1-13-2-4(11-12-13)5(14,3-10)6(7,8)9/h2,14H,3,10H2,1H3
InChIKeyLOAXSSVSZAPIMX-UHFFFAOYSA-N
MW210.16 g/mol
LogP-0.48
Rot. Bonds2

About 3-amino-1,1,1-trifluoro-2-(1-methyltriazol-4-yl)propan-2-ol

3-amino-1,1,1-trifluoro-2-(1-methyltriazol-4-yl)propan-2-ol (PubChem CID 130603078) has the molecular formula C6H9F3N4O and a molecular weight of 210.16 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(1-methyltriazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(1-methyltriazol-4-yl)propan-2-ol
PubChem CID130603078
Molecular FormulaC6H9F3N4O
Molecular Weight210.16 g/mol
Exact Mass210.07
IUPAC Name3-amino-1,1,1-trifluoro-2-(1-methyltriazol-4-yl)propan-2-ol
SMILESCn1cc(C(O)(CN)C(F)(F)F)nn1
InChIInChI=1S/C6H9F3N4O/c1-13-2-4(11-12-13)5(14,3-10)6(7,8)9/h2,14H,3,10H2,1H3
InChIKeyLOAXSSVSZAPIMX-UHFFFAOYSA-N
XLogP-0.48
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-difluoro-2-(1-methyltriazol-4-yl)acetic acid
CID 130603022
2,4-dimethyl-4-(1-methyltriazol-4-yl)pentan-2-amine;ethane
CID 171085136
1-methyl-4-(2,4,4-trimethylpentan-2-yl)triazole
CID 134560662
4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole
CID 160685427
1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]triazole-4-carboxamide
CID 99873774
1-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]triazole-4-carboxamide
CID 99873773
1-cyclobutyl-2-(1-methyltriazol-4-yl)propan-2-ol
CID 130602295
3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)propan-2-ol
CID 64985200
2-cyclopropyl-2-fluoro-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107061549
3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol
CID 63083264
(1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol
CID 130602732
2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(1-methyltriazol-4-yl)propanoic acid
CID 107067072

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(1-methyltriazol-4-yl)propan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(1-methyltriazol-4-yl)propan-2-ol (CID 130603078) is 3-amino-1,1,1-trifluoro-2-(1-methyltriazol-4-yl)propan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(1-methyltriazol-4-yl)propan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(1-methyltriazol-4-yl)propan-2-ol is Cn1cc(C(O)(CN)C(F)(F)F)nn1.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(1-methyltriazol-4-yl)propan-2-ol?
The InChIKey is LOAXSSVSZAPIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4O/c1-13-2-4(11-12-13)5(14,3-10)6(7,8)9/h2,14H,3,10H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(1-methyltriazol-4-yl)propan-2-ol?
3-amino-1,1,1-trifluoro-2-(1-methyltriazol-4-yl)propan-2-ol has a molecular weight of 210.16 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-(1-methyltriazol-4-yl)propan-2-ol is sourced from PubChem (CID 130603078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).