5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine

C14H15ClF3N5 — CID 112958387

IUPAC5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine
SMILESCCN(CC)c1nncc(Nc2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C14H15ClF3N5/c1-3-23(4-2)13-21-12(8-19-22-13)20-11-7-9(14(16,17)18)5-6-10(11)15/h5-8H,3-4H2,1-2H3,(H,20,21,22)
InChIKeyMVSCNKHLVWJRJI-UHFFFAOYSA-N
MW345.76 g/mol
LogP4.13
Rot. Bonds5

About 5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine

5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine (PubChem CID 112958387) has the molecular formula C14H15ClF3N5 and a molecular weight of 345.76 g/mol. Its IUPAC name is 5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine
PubChem CID112958387
Molecular FormulaC14H15ClF3N5
Molecular Weight345.76 g/mol
Exact Mass345.10
IUPAC Name5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine
SMILESCCN(CC)c1nncc(Nc2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C14H15ClF3N5/c1-3-23(4-2)13-21-12(8-19-22-13)20-11-7-9(14(16,17)18)5-6-10(11)15/h5-8H,3-4H2,1-2H3,(H,20,21,22)
InChIKeyMVSCNKHLVWJRJI-UHFFFAOYSA-N
XLogP4.13
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-butan-2-yl-3-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112940799
5-N-(3-chloro-4-methoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine
CID 112958361
6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide
CID 109160757
5-N-(5-chloro-2-methylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960958
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80738081
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112946259
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868173
2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide
CID 109262415
6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N,4-N-diethyl-5-nitropyrimidine-4,6-diamine
CID 23479615
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide
CID 109238959
6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine
CID 63735092
2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methoxypyridine-2,5-diamine
CID 43261475

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine (CID 112958387) is 5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine is CCN(CC)c1nncc(Nc2cc(C(F)(F)F)ccc2Cl)n1.
What is the InChIKey of 5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine?
The InChIKey is MVSCNKHLVWJRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N5/c1-3-23(4-2)13-21-12(8-19-22-13)20-11-7-9(14(16,17)18)5-6-10(11)15/h5-8H,3-4H2,1-2H3,(H,20,21,22).
What are the key properties of 5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine?
5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine has a molecular weight of 345.76 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112958387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).