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

C9H10F3N7O — CID 80877877

IUPACN-methyl-4-(1,2,4-triazol-1-yl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C(F)(F)F)nc(-n2cncn2)n1
InChIInChI=1S/C9H10F3N7O/c1-5(9(10,11)12)20-8-17-6(13-2)16-7(18-8)19-4-14-3-15-19/h3-5H,1-2H3,(H,13,16,17,18)
InChIKeyPPNDIQFBKNVDMV-UHFFFAOYSA-N
MW289.22 g/mol
LogP0.82
Rot. Bonds4

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

N-methyl-4-(1,2,4-triazol-1-yl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine (PubChem CID 80877877) has the molecular formula C9H10F3N7O and a molecular weight of 289.22 g/mol. Its IUPAC name is N-methyl-4-(1,2,4-triazol-1-yl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(1,2,4-triazol-1-yl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
PubChem CID80877877
Molecular FormulaC9H10F3N7O
Molecular Weight289.22 g/mol
Exact Mass289.09
IUPAC NameN-methyl-4-(1,2,4-triazol-1-yl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C(F)(F)F)nc(-n2cncn2)n1
InChIInChI=1S/C9H10F3N7O/c1-5(9(10,11)12)20-8-17-6(13-2)16-7(18-8)19-4-14-3-15-19/h3-5H,1-2H3,(H,13,16,17,18)
InChIKeyPPNDIQFBKNVDMV-UHFFFAOYSA-N
XLogP0.82
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-methyl-4-(1,2,4-triazol-1-yl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

N-methyl-4-pyrazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80877549
4-ethoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853680
4-hexoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80861914
4-N-methyl-2-N-(3-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80803827
4-[(E)-but-2-enoxy]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80873486
4-(4-iodophenoxy)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80875114
N-methyl-4-(2-methylcyclohexyl)oxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80844946
4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80809298
4-(3-bromophenoxy)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80866982
N-methyl-4-(thiophen-2-ylmethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80873050
2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 80843254
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-(1,2,4-triazol-1-yl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-(1,2,4-triazol-1-yl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine (CID 80877877) is N-methyl-4-(1,2,4-triazol-1-yl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-(1,2,4-triazol-1-yl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-(1,2,4-triazol-1-yl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine is CNc1nc(OC(C)C(F)(F)F)nc(-n2cncn2)n1.
What is the InChIKey of N-methyl-4-(1,2,4-triazol-1-yl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The InChIKey is PPNDIQFBKNVDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N7O/c1-5(9(10,11)12)20-8-17-6(13-2)16-7(18-8)19-4-14-3-15-19/h3-5H,1-2H3,(H,13,16,17,18).
What are the key properties of N-methyl-4-(1,2,4-triazol-1-yl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
N-methyl-4-(1,2,4-triazol-1-yl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine has a molecular weight of 289.22 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1,2,4-triazol-1-yl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80877877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).