4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

C8H7ClF3N7 — CID 62864054

IUPAC4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCN(CC(F)(F)F)c1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C8H7ClF3N7/c1-18(2-8(10,11)12)6-15-5(9)16-7(17-6)19-4-13-3-14-19/h3-4H,2H2,1H3
InChIKeyVLDJYVRBZGLUPS-UHFFFAOYSA-N
MW293.64 g/mol
LogP1.10
Rot. Bonds3

About 4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 62864054) has the molecular formula C8H7ClF3N7 and a molecular weight of 293.64 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID62864054
Molecular FormulaC8H7ClF3N7
Molecular Weight293.64 g/mol
Exact Mass293.04
IUPAC Name4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCN(CC(F)(F)F)c1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C8H7ClF3N7/c1-18(2-8(10,11)12)6-15-5(9)16-7(17-6)19-4-13-3-14-19/h3-4H,2H2,1H3
InChIKeyVLDJYVRBZGLUPS-UHFFFAOYSA-N
XLogP1.10
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.64
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 62864054) is 4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is CN(CC(F)(F)F)c1nc(Cl)nc(-n2cncn2)n1.
What is the InChIKey of 4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is VLDJYVRBZGLUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N7/c1-18(2-8(10,11)12)6-15-5(9)16-7(17-6)19-4-13-3-14-19/h3-4H,2H2,1H3.
What are the key properties of 4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 293.64 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).