6-chloro-3-N-[1-(difluoromethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine

C8H12ClF2N5O — CID 118165981

IUPAC6-chloro-3-N-[1-(difluoromethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine
SMILESCC(C)(COC(F)F)Nc1nnc(Cl)c(N)n1
InChIInChI=1S/C8H12ClF2N5O/c1-8(2,3-17-6(10)11)14-7-13-5(12)4(9)15-16-7/h6H,3H2,1-2H3,(H3,12,13,14,16)
InChIKeyIJSQUAKPNKGKJE-UHFFFAOYSA-N
MW267.67 g/mol
LogP1.54
Rot. Bonds5

About 6-chloro-3-N-[1-(difluoromethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine

6-chloro-3-N-[1-(difluoromethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine (PubChem CID 118165981) has the molecular formula C8H12ClF2N5O and a molecular weight of 267.67 g/mol. Its IUPAC name is 6-chloro-3-N-[1-(difluoromethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-chloro-3-N-[1-(difluoromethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine
PubChem CID118165981
Molecular FormulaC8H12ClF2N5O
Molecular Weight267.67 g/mol
Exact Mass267.07
IUPAC Name6-chloro-3-N-[1-(difluoromethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine
SMILESCC(C)(COC(F)F)Nc1nnc(Cl)c(N)n1
InChIInChI=1S/C8H12ClF2N5O/c1-8(2,3-17-6(10)11)14-7-13-5(12)4(9)15-16-7/h6H,3H2,1-2H3,(H3,12,13,14,16)
InChIKeyIJSQUAKPNKGKJE-UHFFFAOYSA-N
XLogP1.54
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-N-[1-(difluoromethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-chloro-3-N-[1-(difluoromethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine (CID 118165981) is 6-chloro-3-N-[1-(difluoromethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-chloro-3-N-[1-(difluoromethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-chloro-3-N-[1-(difluoromethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine is CC(C)(COC(F)F)Nc1nnc(Cl)c(N)n1.
What is the InChIKey of 6-chloro-3-N-[1-(difluoromethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine?
The InChIKey is IJSQUAKPNKGKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF2N5O/c1-8(2,3-17-6(10)11)14-7-13-5(12)4(9)15-16-7/h6H,3H2,1-2H3,(H3,12,13,14,16).
What are the key properties of 6-chloro-3-N-[1-(difluoromethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine?
6-chloro-3-N-[1-(difluoromethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine has a molecular weight of 267.67 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-N-[1-(difluoromethoxy)-2-methylpropan-2-yl]-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 118165981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).