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

C11H14F3N7 — CID 80772312

IUPAC4-N-propyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCC(F)(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C11H14F3N7/c1-2-4-15-8-18-9(16-7-11(12,13)14)20-10(19-8)21-6-3-5-17-21/h3,5-6H,2,4,7H2,1H3,(H2,15,16,18,19,20)
InChIKeyFSTHYRPIILCUFE-UHFFFAOYSA-N
MW301.28 g/mol
LogP1.85
Rot. Bonds6

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

4-N-propyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80772312) has the molecular formula C11H14F3N7 and a molecular weight of 301.28 g/mol. Its IUPAC name is 4-N-propyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-propyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80772312
Molecular FormulaC11H14F3N7
Molecular Weight301.28 g/mol
Exact Mass301.13
IUPAC Name4-N-propyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCC(F)(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C11H14F3N7/c1-2-4-15-8-18-9(16-7-11(12,13)14)20-10(19-8)21-6-3-5-17-21/h3,5-6H,2,4,7H2,1H3,(H2,15,16,18,19,20)
InChIKeyFSTHYRPIILCUFE-UHFFFAOYSA-N
XLogP1.85
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-propyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-propyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 80772312) is 4-N-propyl-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-propyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-propyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is CCCNc1nc(NCC(F)(F)F)nc(-n2cccn2)n1.
What is the InChIKey of 4-N-propyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FSTHYRPIILCUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N7/c1-2-4-15-8-18-9(16-7-11(12,13)14)20-10(19-8)21-6-3-5-17-21/h3,5-6H,2,4,7H2,1H3,(H2,15,16,18,19,20).
What are the key properties of 4-N-propyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
4-N-propyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 301.28 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propyl-6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80772312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).