5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine

C15H10Cl2FN5 — CID 112965518

IUPAC5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1ccccc1Nc1nncc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C15H10Cl2FN5/c16-9-5-6-10(17)13(7-9)20-14-8-19-23-15(22-14)21-12-4-2-1-3-11(12)18/h1-8H,(H2,20,21,22,23)
InChIKeyLIXVXNWVZGBMKC-UHFFFAOYSA-N
MW350.18 g/mol
LogP4.80
Rot. Bonds4

About 5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine

5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112965518) has the molecular formula C15H10Cl2FN5 and a molecular weight of 350.18 g/mol. Its IUPAC name is 5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112965518
Molecular FormulaC15H10Cl2FN5
Molecular Weight350.18 g/mol
Exact Mass349.03
IUPAC Name5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1ccccc1Nc1nncc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C15H10Cl2FN5/c16-9-5-6-10(17)13(7-9)20-14-8-19-23-15(22-14)21-12-4-2-1-3-11(12)18/h1-8H,(H2,20,21,22,23)
InChIKeyLIXVXNWVZGBMKC-UHFFFAOYSA-N
XLogP4.80
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(2,5-dichlorophenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969569
5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965455
3-N-(5-chloro-2-methylphenyl)-5-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966363
5-N-(3-chlorophenyl)-3-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965905
5-N-(2,5-dichlorophenyl)-3-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963627
5-N-(2-fluorophenyl)-3-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112965397
5-N-(2,5-dichlorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112939069
5-N-(2,4-dichlorophenyl)-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964133
3-N-(2-fluorophenyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962174
3-N-(2,4-dichlorophenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961614
5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966307
3-N-(2,4-dichlorophenyl)-5-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967110

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine (CID 112965518) is 5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine is Fc1ccccc1Nc1nncc(Nc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is LIXVXNWVZGBMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN5/c16-9-5-6-10(17)13(7-9)20-14-8-19-23-15(22-14)21-12-4-2-1-3-11(12)18/h1-8H,(H2,20,21,22,23).
What are the key properties of 5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine?
5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 350.18 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112965518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).