2-(2,4-difluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride

C11H13ClF2N4 — CID 155820630

IUPAC2-(2,4-difluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride
SMILESCNC(Cc1ccc(F)cc1F)c1ncn[nH]1.Cl
InChIInChI=1S/C11H12F2N4.ClH/c1-14-10(11-15-6-16-17-11)4-7-2-3-8(12)5-9(7)13;/h2-3,5-6,10,14H,4H2,1H3,(H,15,16,17);1H
InChIKeyJSDCLBLIPKLWGH-UHFFFAOYSA-N
MW274.70 g/mol
LogP2.01
Rot. Bonds4

About 2-(2,4-difluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride

2-(2,4-difluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride (PubChem CID 155820630) has the molecular formula C11H13ClF2N4 and a molecular weight of 274.70 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride
PubChem CID155820630
Molecular FormulaC11H13ClF2N4
Molecular Weight274.70 g/mol
Exact Mass274.08
IUPAC Name2-(2,4-difluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride
SMILESCNC(Cc1ccc(F)cc1F)c1ncn[nH]1.Cl
InChIInChI=1S/C11H12F2N4.ClH/c1-14-10(11-15-6-16-17-11)4-7-2-3-8(12)5-9(7)13;/h2-3,5-6,10,14H,4H2,1H3,(H,15,16,17);1H
InChIKeyJSDCLBLIPKLWGH-UHFFFAOYSA-N
XLogP2.01
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(2,4-difluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride (CID 155820630) is 2-(2,4-difluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride is CNC(Cc1ccc(F)cc1F)c1ncn[nH]1.Cl.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride?
The InChIKey is JSDCLBLIPKLWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4.ClH/c1-14-10(11-15-6-16-17-11)4-7-2-3-8(12)5-9(7)13;/h2-3,5-6,10,14H,4H2,1H3,(H,15,16,17);1H.
What are the key properties of 2-(2,4-difluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride?
2-(2,4-difluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride has a molecular weight of 274.70 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 155820630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).