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

C10H6Cl2F2N4 — CID 81036342

IUPAC3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine
SMILESFc1ccc(CNc2nc(Cl)nnc2Cl)cc1F
InChIInChI=1S/C10H6Cl2F2N4/c11-8-9(16-10(12)18-17-8)15-4-5-1-2-6(13)7(14)3-5/h1-3H,4H2,(H,15,16,18)
InChIKeyZPCIFXJOWSDCST-UHFFFAOYSA-N
MW291.09 g/mol
LogP3.07
Rot. Bonds3

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

3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine (PubChem CID 81036342) has the molecular formula C10H6Cl2F2N4 and a molecular weight of 291.09 g/mol. Its IUPAC name is 3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine
PubChem CID81036342
Molecular FormulaC10H6Cl2F2N4
Molecular Weight291.09 g/mol
Exact Mass289.99
IUPAC Name3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine
SMILESFc1ccc(CNc2nc(Cl)nnc2Cl)cc1F
InChIInChI=1S/C10H6Cl2F2N4/c11-8-9(16-10(12)18-17-8)15-4-5-1-2-6(13)7(14)3-5/h1-3H,4H2,(H,15,16,18)
InChIKeyZPCIFXJOWSDCST-UHFFFAOYSA-N
XLogP3.07
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 102750719
3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine
CID 81035957
2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166257712
6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804623
3,6-dichloro-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-triazin-5-amine
CID 81036548
4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide
CID 106192567
2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321095
6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80804455
6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80979456
3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
CID 102750986
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271953
5-chloro-4-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80805633

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine (CID 81036342) is 3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine is Fc1ccc(CNc2nc(Cl)nnc2Cl)cc1F.
What is the InChIKey of 3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine?
The InChIKey is ZPCIFXJOWSDCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F2N4/c11-8-9(16-10(12)18-17-8)15-4-5-1-2-6(13)7(14)3-5/h1-3H,4H2,(H,15,16,18).
What are the key properties of 3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine?
3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine has a molecular weight of 291.09 g/mol, XLogP of 3.07, 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-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 81036342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).