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

C12H12F2N5O2P — CID 144784442

IUPAC1-[3-(difluoromethyl)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-phosphorosohydrazine
SMILESCc1ncnnc1OCc1c(C(F)F)cccc1N(N)P=O
InChIInChI=1S/C12H12F2N5O2P/c1-7-12(18-17-6-16-7)21-5-9-8(11(13)14)3-2-4-10(9)19(15)22-20/h2-4,6,11H,5,15H2,1H3
InChIKeyOAQLKKCBHKHGDE-UHFFFAOYSA-N
MW327.23 g/mol
LogP2.58
Rot. Bonds6

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

1-[3-(difluoromethyl)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-phosphorosohydrazine (PubChem CID 144784442) has the molecular formula C12H12F2N5O2P and a molecular weight of 327.23 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-phosphorosohydrazine.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-phosphorosohydrazine
PubChem CID144784442
Molecular FormulaC12H12F2N5O2P
Molecular Weight327.23 g/mol
Exact Mass327.07
IUPAC Name1-[3-(difluoromethyl)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-phosphorosohydrazine
SMILESCc1ncnnc1OCc1c(C(F)F)cccc1N(N)P=O
InChIInChI=1S/C12H12F2N5O2P/c1-7-12(18-17-6-16-7)21-5-9-8(11(13)14)3-2-4-10(9)19(15)22-20/h2-4,6,11H,5,15H2,1H3
InChIKeyOAQLKKCBHKHGDE-UHFFFAOYSA-N
XLogP2.58
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(Difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine
CID 144784199
1,3-Diamino-1-methyl-3-[2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]-3-propylphenyl]urea
CID 134547975
3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;N-hydrazinylformamide
CID 144783809
N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;formohydrazide
CID 144783872
3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline
CID 144783810
N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline
CID 144783873

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-phosphorosohydrazine?
The IUPAC name of 1-[3-(difluoromethyl)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-phosphorosohydrazine (CID 144784442) is 1-[3-(difluoromethyl)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-phosphorosohydrazine.
What is the SMILES notation for 1-[3-(difluoromethyl)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-phosphorosohydrazine?
The canonical SMILES for 1-[3-(difluoromethyl)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-phosphorosohydrazine is Cc1ncnnc1OCc1c(C(F)F)cccc1N(N)P=O.
What is the InChIKey of 1-[3-(difluoromethyl)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-phosphorosohydrazine?
The InChIKey is OAQLKKCBHKHGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N5O2P/c1-7-12(18-17-6-16-7)21-5-9-8(11(13)14)3-2-4-10(9)19(15)22-20/h2-4,6,11H,5,15H2,1H3.
What are the key properties of 1-[3-(difluoromethyl)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-phosphorosohydrazine?
1-[3-(difluoromethyl)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-phosphorosohydrazine has a molecular weight of 327.23 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-phosphorosohydrazine is sourced from PubChem (CID 144784442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).