5-(4-fluorophenyl)-6-methyl-1,2,4-triazin-3-amine

C10H9FN4 — CID 43134540

IUPAC5-(4-fluorophenyl)-6-methyl-1,2,4-triazin-3-amine
SMILESCc1nnc(N)nc1-c1ccc(F)cc1
InChIInChI=1S/C10H9FN4/c1-6-9(13-10(12)15-14-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H2,12,13,15)
InChIKeyZYHQJXYDIWDCJD-UHFFFAOYSA-N
MW204.21 g/mol
LogP1.57
Rot. Bonds1

About 5-(4-fluorophenyl)-6-methyl-1,2,4-triazin-3-amine

5-(4-fluorophenyl)-6-methyl-1,2,4-triazin-3-amine (PubChem CID 43134540) has the molecular formula C10H9FN4 and a molecular weight of 204.21 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-methyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-methyl-1,2,4-triazin-3-amine
PubChem CID43134540
Molecular FormulaC10H9FN4
Molecular Weight204.21 g/mol
Exact Mass204.08
IUPAC Name5-(4-fluorophenyl)-6-methyl-1,2,4-triazin-3-amine
SMILESCc1nnc(N)nc1-c1ccc(F)cc1
InChIInChI=1S/C10H9FN4/c1-6-9(13-10(12)15-14-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H2,12,13,15)
InChIKeyZYHQJXYDIWDCJD-UHFFFAOYSA-N
XLogP1.57
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-methyl-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-fluorophenyl)-6-methyl-1,2,4-triazin-3-amine (CID 43134540) is 5-(4-fluorophenyl)-6-methyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-6-methyl-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-fluorophenyl)-6-methyl-1,2,4-triazin-3-amine is Cc1nnc(N)nc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-methyl-1,2,4-triazin-3-amine?
The InChIKey is ZYHQJXYDIWDCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4/c1-6-9(13-10(12)15-14-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H2,12,13,15).
What are the key properties of 5-(4-fluorophenyl)-6-methyl-1,2,4-triazin-3-amine?
5-(4-fluorophenyl)-6-methyl-1,2,4-triazin-3-amine has a molecular weight of 204.21 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-methyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 43134540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).