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

C9H6ClFN4 — CID 114999025

IUPAC3-chloro-N-(3-fluorophenyl)-1,2,4-triazin-5-amine
SMILESFc1cccc(Nc2cnnc(Cl)n2)c1
InChIInChI=1S/C9H6ClFN4/c10-9-14-8(5-12-15-9)13-7-3-1-2-6(11)4-7/h1-5H,(H,13,14,15)
InChIKeyHKFWWMQKKFUREN-UHFFFAOYSA-N
MW224.63 g/mol
LogP2.41
Rot. Bonds2

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

3-chloro-N-(3-fluorophenyl)-1,2,4-triazin-5-amine (PubChem CID 114999025) has the molecular formula C9H6ClFN4 and a molecular weight of 224.63 g/mol. Its IUPAC name is 3-chloro-N-(3-fluorophenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-(3-fluorophenyl)-1,2,4-triazin-5-amine
PubChem CID114999025
Molecular FormulaC9H6ClFN4
Molecular Weight224.63 g/mol
Exact Mass224.03
IUPAC Name3-chloro-N-(3-fluorophenyl)-1,2,4-triazin-5-amine
SMILESFc1cccc(Nc2cnnc(Cl)n2)c1
InChIInChI=1S/C9H6ClFN4/c10-9-14-8(5-12-15-9)13-7-3-1-2-6(11)4-7/h1-5H,(H,13,14,15)
InChIKeyHKFWWMQKKFUREN-UHFFFAOYSA-N
XLogP2.41
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.63
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(3-methoxyphenyl)-1,2,4-triazin-5-amine
CID 115001203
3-N-(2,3-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969089
3-N-(2,4-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969085
3-N-(2-chloro-4,6-dimethylphenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966776
3-N-benzyl-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112947826
3-N-(4-tert-butylphenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965353
5-N-(4-chloro-2-methylphenyl)-3-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966410
3-N-butan-2-yl-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112941003
5-N-(3-bromo-4-methylphenyl)-3-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112967033
3-N-(4-bromo-3-methylphenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969073
N-(3-butan-2-yloxyphenyl)-3-chloro-1,2,4-triazin-5-amine
CID 55060108
3-chloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 114999612

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-fluorophenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-(3-fluorophenyl)-1,2,4-triazin-5-amine (CID 114999025) is 3-chloro-N-(3-fluorophenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-(3-fluorophenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-(3-fluorophenyl)-1,2,4-triazin-5-amine is Fc1cccc(Nc2cnnc(Cl)n2)c1.
What is the InChIKey of 3-chloro-N-(3-fluorophenyl)-1,2,4-triazin-5-amine?
The InChIKey is HKFWWMQKKFUREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN4/c10-9-14-8(5-12-15-9)13-7-3-1-2-6(11)4-7/h1-5H,(H,13,14,15).
What are the key properties of 3-chloro-N-(3-fluorophenyl)-1,2,4-triazin-5-amine?
3-chloro-N-(3-fluorophenyl)-1,2,4-triazin-5-amine has a molecular weight of 224.63 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-fluorophenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 114999025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).