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

C10H11FN4 — CID 63278631

IUPAC2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-amine
SMILESCc1nc(N)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C10H11FN4/c1-7-13-10(12)15(14-7)6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H2,12,13,14)
InChIKeyOBHBNEHOOFEUNX-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.36
Rot. Bonds2

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

2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-amine (PubChem CID 63278631) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-amine
PubChem CID63278631
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-amine
SMILESCc1nc(N)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C10H11FN4/c1-7-13-10(12)15(14-7)6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H2,12,13,14)
InChIKeyOBHBNEHOOFEUNX-UHFFFAOYSA-N
XLogP1.36
TPSA56.73 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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-amine (CID 63278631) is 2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-amine is Cc1nc(N)n(Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-amine?
The InChIKey is OBHBNEHOOFEUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-7-13-10(12)15(14-7)6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H2,12,13,14).
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-amine?
2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-amine has a molecular weight of 206.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 63278631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).