1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine

C13H15F2N5O2 — CID 144784199

IUPAC1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine
SMILESCc1ncnnc1OCc1c(OC(F)F)cccc1N(C)N
InChIInChI=1S/C13H15F2N5O2/c1-8-12(19-18-7-17-8)21-6-9-10(20(2)16)4-3-5-11(9)22-13(14)15/h3-5,7,13H,6,16H2,1-2H3
InChIKeyGPNSMBJWKKDQSL-UHFFFAOYSA-N
MW311.29 g/mol
LogP1.67
Rot. Bonds6

About 1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine

1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine (PubChem CID 144784199) has the molecular formula C13H15F2N5O2 and a molecular weight of 311.29 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine
PubChem CID144784199
Molecular FormulaC13H15F2N5O2
Molecular Weight311.29 g/mol
Exact Mass311.12
IUPAC Name1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine
SMILESCc1ncnnc1OCc1c(OC(F)F)cccc1N(C)N
InChIInChI=1S/C13H15F2N5O2/c1-8-12(19-18-7-17-8)21-6-9-10(20(2)16)4-3-5-11(9)22-13(14)15/h3-5,7,13H,6,16H2,1-2H3
InChIKeyGPNSMBJWKKDQSL-UHFFFAOYSA-N
XLogP1.67
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine?
The IUPAC name of 1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine (CID 144784199) is 1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine?
The canonical SMILES for 1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine is Cc1ncnnc1OCc1c(OC(F)F)cccc1N(C)N.
What is the InChIKey of 1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine?
The InChIKey is GPNSMBJWKKDQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5O2/c1-8-12(19-18-7-17-8)21-6-9-10(20(2)16)4-3-5-11(9)22-13(14)15/h3-5,7,13H,6,16H2,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine?
1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine has a molecular weight of 311.29 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine is sourced from PubChem (CID 144784199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).