3-chloro-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-5-amine

C10H8ClFN4 — CID 82237561

IUPAC3-chloro-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-5-amine
SMILESFc1ccc(CNc2cnnc(Cl)n2)cc1
InChIInChI=1S/C10H8ClFN4/c11-10-15-9(6-14-16-10)13-5-7-1-3-8(12)4-2-7/h1-4,6H,5H2,(H,13,15,16)
InChIKeyRARFSSKBWJPGMD-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.28
Rot. Bonds3

About 3-chloro-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-5-amine

3-chloro-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-5-amine (PubChem CID 82237561) has the molecular formula C10H8ClFN4 and a molecular weight of 238.65 g/mol. Its IUPAC name is 3-chloro-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-5-amine
PubChem CID82237561
Molecular FormulaC10H8ClFN4
Molecular Weight238.65 g/mol
Exact Mass238.04
IUPAC Name3-chloro-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-5-amine
SMILESFc1ccc(CNc2cnnc(Cl)n2)cc1
InChIInChI=1S/C10H8ClFN4/c11-10-15-9(6-14-16-10)13-5-7-1-3-8(12)4-2-7/h1-4,6H,5H2,(H,13,15,16)
InChIKeyRARFSSKBWJPGMD-UHFFFAOYSA-N
XLogP2.28
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-5-amine (CID 82237561) is 3-chloro-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-5-amine is Fc1ccc(CNc2cnnc(Cl)n2)cc1.
What is the InChIKey of 3-chloro-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-5-amine?
The InChIKey is RARFSSKBWJPGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4/c11-10-15-9(6-14-16-10)13-5-7-1-3-8(12)4-2-7/h1-4,6H,5H2,(H,13,15,16).
What are the key properties of 3-chloro-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-5-amine?
3-chloro-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-5-amine has a molecular weight of 238.65 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 82237561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).