3,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine

C8H9Cl2F3N4 — CID 81036746

IUPAC3,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
SMILESCC(C)N(CC(F)(F)F)c1nc(Cl)nnc1Cl
InChIInChI=1S/C8H9Cl2F3N4/c1-4(2)17(3-8(11,12)13)6-5(9)15-16-7(10)14-6/h4H,3H2,1-2H3
InChIKeyMMQOWDPKZQRMKF-UHFFFAOYSA-N
MW289.09 g/mol
LogP2.96
Rot. Bonds3

About 3,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine

3,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine (PubChem CID 81036746) has the molecular formula C8H9Cl2F3N4 and a molecular weight of 289.09 g/mol. Its IUPAC name is 3,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
PubChem CID81036746
Molecular FormulaC8H9Cl2F3N4
Molecular Weight289.09 g/mol
Exact Mass288.02
IUPAC Name3,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
SMILESCC(C)N(CC(F)(F)F)c1nc(Cl)nnc1Cl
InChIInChI=1S/C8H9Cl2F3N4/c1-4(2)17(3-8(11,12)13)6-5(9)15-16-7(10)14-6/h4H,3H2,1-2H3
InChIKeyMMQOWDPKZQRMKF-UHFFFAOYSA-N
XLogP2.96
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine (CID 81036746) is 3,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine is CC(C)N(CC(F)(F)F)c1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The InChIKey is MMQOWDPKZQRMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2F3N4/c1-4(2)17(3-8(11,12)13)6-5(9)15-16-7(10)14-6/h4H,3H2,1-2H3.
What are the key properties of 3,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine has a molecular weight of 289.09 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 81036746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).