formohydrazide;N-methyl-2-[(6-methylpyrazin-2-yl)oxymethyl]-3-(trifluoromethyl)aniline

C15H18F3N5O2 — CID 144784598

IUPACformohydrazide;N-methyl-2-[(6-methylpyrazin-2-yl)oxymethyl]-3-(trifluoromethyl)aniline
SMILESCNc1cccc(C(F)(F)F)c1COc1cncc(C)n1.NNC=O
InChIInChI=1S/C14H14F3N3O.CH4N2O/c1-9-6-19-7-13(20-9)21-8-10-11(14(15,16)17)4-3-5-12(10)18-2;2-3-1-4/h3-7,18H,8H2,1-2H3;1H,2H2,(H,3,4)
InChIKeyDKUAFDFHGLTLPN-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.03
Rot. Bonds5

About formohydrazide;N-methyl-2-[(6-methylpyrazin-2-yl)oxymethyl]-3-(trifluoromethyl)aniline

formohydrazide;N-methyl-2-[(6-methylpyrazin-2-yl)oxymethyl]-3-(trifluoromethyl)aniline (PubChem CID 144784598) has the molecular formula C15H18F3N5O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is formohydrazide;N-methyl-2-[(6-methylpyrazin-2-yl)oxymethyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Nameformohydrazide;N-methyl-2-[(6-methylpyrazin-2-yl)oxymethyl]-3-(trifluoromethyl)aniline
PubChem CID144784598
Molecular FormulaC15H18F3N5O2
Molecular Weight357.34 g/mol
Exact Mass357.14
IUPAC Nameformohydrazide;N-methyl-2-[(6-methylpyrazin-2-yl)oxymethyl]-3-(trifluoromethyl)aniline
SMILESCNc1cccc(C(F)(F)F)c1COc1cncc(C)n1.NNC=O
InChIInChI=1S/C14H14F3N3O.CH4N2O/c1-9-6-19-7-13(20-9)21-8-10-11(14(15,16)17)4-3-5-12(10)18-2;2-3-1-4/h3-7,18H,8H2,1-2H3;1H,2H2,(H,3,4)
InChIKeyDKUAFDFHGLTLPN-UHFFFAOYSA-N
XLogP2.03
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formohydrazide;N-methyl-2-[(6-methylpyrazin-2-yl)oxymethyl]-3-(trifluoromethyl)aniline?
The IUPAC name of formohydrazide;N-methyl-2-[(6-methylpyrazin-2-yl)oxymethyl]-3-(trifluoromethyl)aniline (CID 144784598) is formohydrazide;N-methyl-2-[(6-methylpyrazin-2-yl)oxymethyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for formohydrazide;N-methyl-2-[(6-methylpyrazin-2-yl)oxymethyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for formohydrazide;N-methyl-2-[(6-methylpyrazin-2-yl)oxymethyl]-3-(trifluoromethyl)aniline is CNc1cccc(C(F)(F)F)c1COc1cncc(C)n1.NNC=O.
What is the InChIKey of formohydrazide;N-methyl-2-[(6-methylpyrazin-2-yl)oxymethyl]-3-(trifluoromethyl)aniline?
The InChIKey is DKUAFDFHGLTLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O.CH4N2O/c1-9-6-19-7-13(20-9)21-8-10-11(14(15,16)17)4-3-5-12(10)18-2;2-3-1-4/h3-7,18H,8H2,1-2H3;1H,2H2,(H,3,4).
What are the key properties of formohydrazide;N-methyl-2-[(6-methylpyrazin-2-yl)oxymethyl]-3-(trifluoromethyl)aniline?
formohydrazide;N-methyl-2-[(6-methylpyrazin-2-yl)oxymethyl]-3-(trifluoromethyl)aniline has a molecular weight of 357.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formohydrazide;N-methyl-2-[(6-methylpyrazin-2-yl)oxymethyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 144784598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).