5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine

C10H11FN4 — CID 83882734

IUPAC5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2cccc(F)c2)n1C
InChIInChI=1S/C10H11FN4/c1-12-10-14-13-9(15(10)2)7-4-3-5-8(11)6-7/h3-6H,1-2H3,(H,12,14)
InChIKeyATFSZISKBGUUIN-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.66
Rot. Bonds2

About 5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine

5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 83882734) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID83882734
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2cccc(F)c2)n1C
InChIInChI=1S/C10H11FN4/c1-12-10-14-13-9(15(10)2)7-4-3-5-8(11)6-7/h3-6H,1-2H3,(H,12,14)
InChIKeyATFSZISKBGUUIN-UHFFFAOYSA-N
XLogP1.66
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine (CID 83882734) is 5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(-c2cccc(F)c2)n1C.
What is the InChIKey of 5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is ATFSZISKBGUUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-12-10-14-13-9(15(10)2)7-4-3-5-8(11)6-7/h3-6H,1-2H3,(H,12,14).
What are the key properties of 5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 206.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 83882734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).