3,3,3-trifluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]propan-1-amine

C7H11F3N4S — CID 103371647

IUPAC3,3,3-trifluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]propan-1-amine
SMILESCn1cnnc1SCC(CN)C(F)(F)F
InChIInChI=1S/C7H11F3N4S/c1-14-4-12-13-6(14)15-3-5(2-11)7(8,9)10/h4-5H,2-3,11H2,1H3
InChIKeyIAZRMFUFBMUCRP-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.04
Rot. Bonds4

About 3,3,3-trifluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]propan-1-amine

3,3,3-trifluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]propan-1-amine (PubChem CID 103371647) has the molecular formula C7H11F3N4S and a molecular weight of 240.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]propan-1-amine
PubChem CID103371647
Molecular FormulaC7H11F3N4S
Molecular Weight240.25 g/mol
Exact Mass240.07
IUPAC Name3,3,3-trifluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]propan-1-amine
SMILESCn1cnnc1SCC(CN)C(F)(F)F
InChIInChI=1S/C7H11F3N4S/c1-14-4-12-13-6(14)15-3-5(2-11)7(8,9)10/h4-5H,2-3,11H2,1H3
InChIKeyIAZRMFUFBMUCRP-UHFFFAOYSA-N
XLogP1.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]propan-1-amine (CID 103371647) is 3,3,3-trifluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]propan-1-amine is Cn1cnnc1SCC(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]propan-1-amine?
The InChIKey is IAZRMFUFBMUCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4S/c1-14-4-12-13-6(14)15-3-5(2-11)7(8,9)10/h4-5H,2-3,11H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]propan-1-amine?
3,3,3-trifluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]propan-1-amine has a molecular weight of 240.25 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]propan-1-amine is sourced from PubChem (CID 103371647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).