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

C14H19F2N7O3 — CID 144784198

IUPAC1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide
SMILESCc1ncnnc1OCc1c(OC(F)F)cccc1N(C)N.NNC=O
InChIInChI=1S/C13H15F2N5O2.CH4N2O/c1-8-12(19-18-7-17-8)21-6-9-10(20(2)16)4-3-5-11(9)22-13(14)15;2-3-1-4/h3-5,7,13H,6,16H2,1-2H3;1H,2H2,(H,3,4)
InChIKeyZAHOHBCUFJELFM-UHFFFAOYSA-N
MW371.35 g/mol
LogP0.28
Rot. Bonds7

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

1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide (PubChem CID 144784198) has the molecular formula C14H19F2N7O3 and a molecular weight of 371.35 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide
PubChem CID144784198
Molecular FormulaC14H19F2N7O3
Molecular Weight371.35 g/mol
Exact Mass371.15
IUPAC Name1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide
SMILESCc1ncnnc1OCc1c(OC(F)F)cccc1N(C)N.NNC=O
InChIInChI=1S/C13H15F2N5O2.CH4N2O/c1-8-12(19-18-7-17-8)21-6-9-10(20(2)16)4-3-5-11(9)22-13(14)15;2-3-1-4/h3-5,7,13H,6,16H2,1-2H3;1H,2H2,(H,3,4)
InChIKeyZAHOHBCUFJELFM-UHFFFAOYSA-N
XLogP0.28
TPSA141.51 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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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Related Compounds

1-[3-(difluoromethyl)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-phosphorosohydrazine
CID 144784442
1-[3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide
CID 144784206
4-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]-N,3-dimethyl-N-phenylaniline;formohydrazide
CID 144784749
ethyl 4-[4-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]-3-methylphenyl]-3-methyl-2,4-dioxobutanoate;formohydrazide
CID 144820644
N-[[3-(difluoromethoxy)-2-[(2,4-dimethylphenoxy)methyl]-N-methylanilino]diazenyl]-N-methylformamide
CID 123738473
1-[2-[[5-(5-bromo-2-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide
CID 144784276
1-[3-ethyl-2-[[4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenoxy]methyl]phenyl]-1-methylhydrazine;formohydrazide
CID 144773168
1,3-diamino-1-[2-[[2-chloro-4-(3,4,5-trimethylpyrazol-1-yl)phenoxy]methyl]-3-(difluoromethoxy)phenyl]-3-methylurea
CID 129144409
1-methyl-1-[3-methyl-2-[[1-(2-propan-2-yloxyphenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine
CID 155217765
1-[2-[[3-(4-chlorophenyl)-5-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide
CID 144739226
3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline
CID 144784654
3-[amino(methyl)amino]-2-(hydroxymethyl)benzonitrile;formohydrazide
CID 144830652

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;formohydrazide?
The IUPAC name of 1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide (CID 144784198) is 1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide.
What is the SMILES notation for 1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide?
The canonical SMILES for 1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide is Cc1ncnnc1OCc1c(OC(F)F)cccc1N(C)N.NNC=O.
What is the InChIKey of 1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide?
The InChIKey is ZAHOHBCUFJELFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5O2.CH4N2O/c1-8-12(19-18-7-17-8)21-6-9-10(20(2)16)4-3-5-11(9)22-13(14)15;2-3-1-4/h3-5,7,13H,6,16H2,1-2H3;1H,2H2,(H,3,4).
What are the key properties of 1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide?
1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide has a molecular weight of 371.35 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 9 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;formohydrazide is sourced from PubChem (CID 144784198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).