3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine

C11H7Cl2F3N4 — CID 81035957

IUPAC3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine
SMILESFC(F)(F)c1ccc(CNc2nc(Cl)nnc2Cl)cc1
InChIInChI=1S/C11H7Cl2F3N4/c12-8-9(18-10(13)20-19-8)17-5-6-1-3-7(4-2-6)11(14,15)16/h1-4H,5H2,(H,17,18,20)
InChIKeyZTAKRNAPWNDBTH-UHFFFAOYSA-N
MW323.11 g/mol
LogP3.81
Rot. Bonds3

About 3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine

3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine (PubChem CID 81035957) has the molecular formula C11H7Cl2F3N4 and a molecular weight of 323.11 g/mol. Its IUPAC name is 3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine
PubChem CID81035957
Molecular FormulaC11H7Cl2F3N4
Molecular Weight323.11 g/mol
Exact Mass322.00
IUPAC Name3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine
SMILESFC(F)(F)c1ccc(CNc2nc(Cl)nnc2Cl)cc1
InChIInChI=1S/C11H7Cl2F3N4/c12-8-9(18-10(13)20-19-8)17-5-6-1-3-7(4-2-6)11(14,15)16/h1-4H,5H2,(H,17,18,20)
InChIKeyZTAKRNAPWNDBTH-UHFFFAOYSA-N
XLogP3.81
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.11
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
CID 62881850
3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine
CID 81036342
5-bromo-2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 79072897
4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide
CID 106192567
3,6-dichloro-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-triazin-5-amine
CID 81036548
3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 107057599
6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
CID 60726264
3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
CID 81037637
3,6-dichloro-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine
CID 81037431
3,6-dichloro-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine
CID 81036321
2-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436967
3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
CID 60699153

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine (CID 81035957) is 3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine is FC(F)(F)c1ccc(CNc2nc(Cl)nnc2Cl)cc1.
What is the InChIKey of 3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine?
The InChIKey is ZTAKRNAPWNDBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F3N4/c12-8-9(18-10(13)20-19-8)17-5-6-1-3-7(4-2-6)11(14,15)16/h1-4H,5H2,(H,17,18,20).
What are the key properties of 3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine?
3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine has a molecular weight of 323.11 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 81035957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).