5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine

C10H10F2N4 — CID 104605153

IUPAC5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(Cc2cccc(F)c2F)nc1N
InChIInChI=1S/C10H10F2N4/c1-16-10(13)14-8(15-16)5-6-3-2-4-7(11)9(6)12/h2-4H,5H2,1H3,(H2,13,14,15)
InChIKeyLQLNPEIGWIFLMJ-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.27
Rot. Bonds2

About 5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine

5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine (PubChem CID 104605153) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is 5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
PubChem CID104605153
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(Cc2cccc(F)c2F)nc1N
InChIInChI=1S/C10H10F2N4/c1-16-10(13)14-8(15-16)5-6-3-2-4-7(11)9(6)12/h2-4H,5H2,1H3,(H2,13,14,15)
InChIKeyLQLNPEIGWIFLMJ-UHFFFAOYSA-N
XLogP1.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine (CID 104605153) is 5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine is Cn1nc(Cc2cccc(F)c2F)nc1N.
What is the InChIKey of 5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is LQLNPEIGWIFLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/c1-16-10(13)14-8(15-16)5-6-3-2-4-7(11)9(6)12/h2-4H,5H2,1H3,(H2,13,14,15).
What are the key properties of 5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 224.21 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 104605153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).