3,3,3-trifluoro-N-methyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-amine

C7H11F3N4 — CID 156563568

IUPAC3,3,3-trifluoro-N-methyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-amine
SMILESCNCC(Cn1cncn1)C(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-11-2-6(7(8,9)10)3-14-5-12-4-13-14/h4-6,11H,2-3H2,1H3
InChIKeyFADCBZSXHFILDY-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.68
Rot. Bonds4

About 3,3,3-trifluoro-N-methyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-amine

3,3,3-trifluoro-N-methyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-amine (PubChem CID 156563568) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-amine
PubChem CID156563568
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name3,3,3-trifluoro-N-methyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-amine
SMILESCNCC(Cn1cncn1)C(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-11-2-6(7(8,9)10)3-14-5-12-4-13-14/h4-6,11H,2-3H2,1H3
InChIKeyFADCBZSXHFILDY-UHFFFAOYSA-N
XLogP0.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-amine (CID 156563568) is 3,3,3-trifluoro-N-methyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-amine is CNCC(Cn1cncn1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-amine?
The InChIKey is FADCBZSXHFILDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-11-2-6(7(8,9)10)3-14-5-12-4-13-14/h4-6,11H,2-3H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-amine?
3,3,3-trifluoro-N-methyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-amine has a molecular weight of 208.19 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-amine is sourced from PubChem (CID 156563568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).