6-(4-methylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]triazin-4-amine

C19H19F3N6O — CID 127037886

IUPAC6-(4-methylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]triazin-4-amine
SMILESCC1CCN(c2ccc3nnnc(Nc4cccc(OC(F)(F)F)c4)c3n2)CC1
InChIInChI=1S/C19H19F3N6O/c1-12-7-9-28(10-8-12)16-6-5-15-17(24-16)18(26-27-25-15)23-13-3-2-4-14(11-13)29-19(20,21)22/h2-6,11-12H,7-10H2,1H3,(H,23,25,26)
InChIKeyVLHGDSWCPGVECF-UHFFFAOYSA-N
MW404.40 g/mol
LogP4.30
Rot. Bonds4

About 6-(4-methylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]triazin-4-amine

6-(4-methylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]triazin-4-amine (PubChem CID 127037886) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]triazin-4-amine.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]triazin-4-amine
PubChem CID127037886
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC Name6-(4-methylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]triazin-4-amine
SMILESCC1CCN(c2ccc3nnnc(Nc4cccc(OC(F)(F)F)c4)c3n2)CC1
InChIInChI=1S/C19H19F3N6O/c1-12-7-9-28(10-8-12)16-6-5-15-17(24-16)18(26-27-25-15)23-13-3-2-4-14(11-13)29-19(20,21)22/h2-6,11-12H,7-10H2,1H3,(H,23,25,26)
InChIKeyVLHGDSWCPGVECF-UHFFFAOYSA-N
XLogP4.30
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]triazin-4-amine?
The IUPAC name of 6-(4-methylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]triazin-4-amine (CID 127037886) is 6-(4-methylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]triazin-4-amine.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]triazin-4-amine?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]triazin-4-amine is CC1CCN(c2ccc3nnnc(Nc4cccc(OC(F)(F)F)c4)c3n2)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]triazin-4-amine?
The InChIKey is VLHGDSWCPGVECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O/c1-12-7-9-28(10-8-12)16-6-5-15-17(24-16)18(26-27-25-15)23-13-3-2-4-14(11-13)29-19(20,21)22/h2-6,11-12H,7-10H2,1H3,(H,23,25,26).
What are the key properties of 6-(4-methylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]triazin-4-amine?
6-(4-methylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]triazin-4-amine has a molecular weight of 404.40 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]triazin-4-amine is sourced from PubChem (CID 127037886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).