6-(2-chloro-6-fluorophenyl)-1,2,4-triazine-3,5-diamine

C9H7ClFN5 — CID 23311127

IUPAC6-(2-chloro-6-fluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2c(F)cccc2Cl)c(N)n1
InChIInChI=1S/C9H7ClFN5/c10-4-2-1-3-5(11)6(4)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
InChIKeyAPXAGCNXBBJUPP-UHFFFAOYSA-N
MW239.64 g/mol
LogP1.50
Rot. Bonds1

About 6-(2-chloro-6-fluorophenyl)-1,2,4-triazine-3,5-diamine

6-(2-chloro-6-fluorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 23311127) has the molecular formula C9H7ClFN5 and a molecular weight of 239.64 g/mol. Its IUPAC name is 6-(2-chloro-6-fluorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-(2-chloro-6-fluorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID23311127
Molecular FormulaC9H7ClFN5
Molecular Weight239.64 g/mol
Exact Mass239.04
IUPAC Name6-(2-chloro-6-fluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2c(F)cccc2Cl)c(N)n1
InChIInChI=1S/C9H7ClFN5/c10-4-2-1-3-5(11)6(4)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
InChIKeyAPXAGCNXBBJUPP-UHFFFAOYSA-N
XLogP1.50
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.64
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chloro-6-fluorophenyl)pyrazin-2-amine
CID 112559171
4-(2-chloro-6-fluorophenyl)-2-ethyl-1,3-thiazol-5-amine
CID 62082901
6-(2,6-dichloro-5-fluoro-3-pyridinyl)-1,2,4-triazine-3,5-diamine
CID 58103120
6-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 3060073
6-chloro-2-(2-chloro-6-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617429
6-[3-(4-chlorophenyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 121410399
4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
CID 66200303
5-(2-chloro-6-fluorophenyl)-2-cyclopropyl-3-methylimidazol-4-amine
CID 55048692
2-(2-chloro-6-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 55249749
[3-(2-chloro-6-fluorophenyl)pyrazin-2-yl]hydrazine
CID 112559501
6-(2-chloro-3-pyridinyl)-1,2,4-triazine-3,5-diamine
CID 58103123
2-(2-chloro-6-fluorophenyl)-5,7-dimethylimidazo[1,2-a]pyridin-3-amine
CID 114933530

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-fluorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-(2-chloro-6-fluorophenyl)-1,2,4-triazine-3,5-diamine (CID 23311127) is 6-(2-chloro-6-fluorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-(2-chloro-6-fluorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-(2-chloro-6-fluorophenyl)-1,2,4-triazine-3,5-diamine is Nc1nnc(-c2c(F)cccc2Cl)c(N)n1.
What is the InChIKey of 6-(2-chloro-6-fluorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is APXAGCNXBBJUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN5/c10-4-2-1-3-5(11)6(4)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16).
What are the key properties of 6-(2-chloro-6-fluorophenyl)-1,2,4-triazine-3,5-diamine?
6-(2-chloro-6-fluorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 239.64 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-fluorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 23311127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).