1-propan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine

C7H12F3N5 — CID 21151823

IUPAC1-propan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine
SMILESCC(C)N1C(C(F)(F)F)=NC(N)=NC1N
InChIInChI=1S/C7H12F3N5/c1-3(2)15-4(7(8,9)10)13-5(11)14-6(15)12/h3,6H,12H2,1-2H3,(H2,11,14)
InChIKeyFRIMZXUFWVBWQF-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.23
Rot. Bonds1

About 1-propan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine

1-propan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine (PubChem CID 21151823) has the molecular formula C7H12F3N5 and a molecular weight of 223.20 g/mol. Its IUPAC name is 1-propan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-propan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine
PubChem CID21151823
Molecular FormulaC7H12F3N5
Molecular Weight223.20 g/mol
Exact Mass223.10
IUPAC Name1-propan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine
SMILESCC(C)N1C(C(F)(F)F)=NC(N)=NC1N
InChIInChI=1S/C7H12F3N5/c1-3(2)15-4(7(8,9)10)13-5(11)14-6(15)12/h3,6H,12H2,1-2H3,(H2,11,14)
InChIKeyFRIMZXUFWVBWQF-UHFFFAOYSA-N
XLogP0.23
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-propan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine (CID 21151823) is 1-propan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-propan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-propan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine is CC(C)N1C(C(F)(F)F)=NC(N)=NC1N.
What is the InChIKey of 1-propan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine?
The InChIKey is FRIMZXUFWVBWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N5/c1-3(2)15-4(7(8,9)10)13-5(11)14-6(15)12/h3,6H,12H2,1-2H3,(H2,11,14).
What are the key properties of 1-propan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine?
1-propan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine has a molecular weight of 223.20 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21151823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).