4-N-ethyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

C10H12F3N7 — CID 80778276

IUPAC4-N-ethyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC(F)(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C10H12F3N7/c1-2-14-7-17-8(15-6-10(11,12)13)19-9(18-7)20-5-3-4-16-20/h3-5H,2,6H2,1H3,(H2,14,15,17,18,19)
InChIKeyBLDGKVDVYIKXIK-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.46
Rot. Bonds5

About 4-N-ethyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80778276) has the molecular formula C10H12F3N7 and a molecular weight of 287.25 g/mol. Its IUPAC name is 4-N-ethyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80778276
Molecular FormulaC10H12F3N7
Molecular Weight287.25 g/mol
Exact Mass287.11
IUPAC Name4-N-ethyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC(F)(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C10H12F3N7/c1-2-14-7-17-8(15-6-10(11,12)13)19-9(18-7)20-5-3-4-16-20/h3-5H,2,6H2,1H3,(H2,14,15,17,18,19)
InChIKeyBLDGKVDVYIKXIK-UHFFFAOYSA-N
XLogP1.46
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 80778276) is 4-N-ethyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(NCC(F)(F)F)nc(-n2cccn2)n1.
What is the InChIKey of 4-N-ethyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BLDGKVDVYIKXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N7/c1-2-14-7-17-8(15-6-10(11,12)13)19-9(18-7)20-5-3-4-16-20/h3-5H,2,6H2,1H3,(H2,14,15,17,18,19).
What are the key properties of 4-N-ethyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 287.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80778276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).