N-methyl-4-pyrazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine

C10H11F3N6O — CID 80877549

IUPACN-methyl-4-pyrazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C(F)(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C10H11F3N6O/c1-6(10(11,12)13)20-9-17-7(14-2)16-8(18-9)19-5-3-4-15-19/h3-6H,1-2H3,(H,14,16,17,18)
InChIKeyIPRRWUSGIXUCFC-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.43
Rot. Bonds4

About N-methyl-4-pyrazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine

N-methyl-4-pyrazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine (PubChem CID 80877549) has the molecular formula C10H11F3N6O and a molecular weight of 288.23 g/mol. Its IUPAC name is N-methyl-4-pyrazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-pyrazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
PubChem CID80877549
Molecular FormulaC10H11F3N6O
Molecular Weight288.23 g/mol
Exact Mass288.09
IUPAC NameN-methyl-4-pyrazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C(F)(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C10H11F3N6O/c1-6(10(11,12)13)20-9-17-7(14-2)16-8(18-9)19-5-3-4-15-19/h3-6H,1-2H3,(H,14,16,17,18)
InChIKeyIPRRWUSGIXUCFC-UHFFFAOYSA-N
XLogP1.43
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-4-(1,2,4-triazol-1-yl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80877877
N-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80859552
N-methyl-4-pentan-2-yloxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 102989434
N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80853036
4-N-methyl-2-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80765899
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779408
N-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80882821
4-(2-cyclobutylethoxy)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 106207686
2-N-[1-(dimethylamino)propan-2-yl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 82949897
N-ethyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80844530
2-N,4-N-dimethyl-4-N-(2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80776677
N-ethyl-4-imidazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80871046

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyrazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-pyrazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine (CID 80877549) is N-methyl-4-pyrazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-pyrazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-pyrazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine is CNc1nc(OC(C)C(F)(F)F)nc(-n2cccn2)n1.
What is the InChIKey of N-methyl-4-pyrazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The InChIKey is IPRRWUSGIXUCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6O/c1-6(10(11,12)13)20-9-17-7(14-2)16-8(18-9)19-5-3-4-15-19/h3-6H,1-2H3,(H,14,16,17,18).
What are the key properties of N-methyl-4-pyrazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
N-methyl-4-pyrazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine has a molecular weight of 288.23 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pyrazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80877549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).