1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine

C7H11F3N4 — CID 107064626

IUPAC1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
SMILESCNC(Cc1cn(C)nn1)C(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-11-6(7(8,9)10)3-5-4-14(2)13-12-5/h4,6,11H,3H2,1-2H3
InChIKeyDCIANUHGFFVQEP-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.51
Rot. Bonds3

About 1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine

1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine (PubChem CID 107064626) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
PubChem CID107064626
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
SMILESCNC(Cc1cn(C)nn1)C(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-11-6(7(8,9)10)3-5-4-14(2)13-12-5/h4,6,11H,3H2,1-2H3
InChIKeyDCIANUHGFFVQEP-UHFFFAOYSA-N
XLogP0.51
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107048753
2,2,3,3-tetrafluoro-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 103529326
N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine
CID 107048557
[3-methyl-1-(1-methyltriazol-4-yl)-3-morpholin-4-ylbutan-2-yl]hydrazine
CID 107066206
2-N,3-diethyl-3-N,3-N-dimethyl-1-(1-methyltriazol-4-yl)pentane-2,3-diamine
CID 107049899
N-methyl-1-(1-methyltriazol-4-yl)-3-propan-2-yloxypropan-2-amine
CID 107064582
1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050222
2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058357
1-(7-bicyclo[4.1.0]heptanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064594
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064608
ethane;4-ethyl-1-methyltriazole
CID 143593274
4-(2,2-difluoroethoxy)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107051436

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine (CID 107064626) is 1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine is CNC(Cc1cn(C)nn1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine?
The InChIKey is DCIANUHGFFVQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-11-6(7(8,9)10)3-5-4-14(2)13-12-5/h4,6,11H,3H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine?
1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine has a molecular weight of 208.19 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine is sourced from PubChem (CID 107064626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).