N-methyl-4-propan-2-yloxy-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine

C11H13F3N6O — CID 80841047

IUPACN-methyl-4-propan-2-yloxy-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C)nc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H13F3N6O/c1-6(2)21-10-17-8(15-3)16-9(18-10)20-5-4-7(19-20)11(12,13)14/h4-6H,1-3H3,(H,15,16,17,18)
InChIKeyKNYZIBWELAERCZ-UHFFFAOYSA-N
MW302.26 g/mol
LogP1.90
Rot. Bonds4

About N-methyl-4-propan-2-yloxy-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine

N-methyl-4-propan-2-yloxy-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine (PubChem CID 80841047) has the molecular formula C11H13F3N6O and a molecular weight of 302.26 g/mol. Its IUPAC name is N-methyl-4-propan-2-yloxy-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-propan-2-yloxy-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine
PubChem CID80841047
Molecular FormulaC11H13F3N6O
Molecular Weight302.26 g/mol
Exact Mass302.11
IUPAC NameN-methyl-4-propan-2-yloxy-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C)nc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H13F3N6O/c1-6(2)21-10-17-8(15-3)16-9(18-10)20-5-4-7(19-20)11(12,13)14/h4-6H,1-3H3,(H,15,16,17,18)
InChIKeyKNYZIBWELAERCZ-UHFFFAOYSA-N
XLogP1.90
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propan-2-yloxy-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-propan-2-yloxy-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine (CID 80841047) is N-methyl-4-propan-2-yloxy-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-propan-2-yloxy-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-propan-2-yloxy-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine is CNc1nc(OC(C)C)nc(-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of N-methyl-4-propan-2-yloxy-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is KNYZIBWELAERCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6O/c1-6(2)21-10-17-8(15-3)16-9(18-10)20-5-4-7(19-20)11(12,13)14/h4-6H,1-3H3,(H,15,16,17,18).
What are the key properties of N-methyl-4-propan-2-yloxy-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine?
N-methyl-4-propan-2-yloxy-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 302.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-yloxy-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80841047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).