6-amino-3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4H-1,2,4-triazin-5-one;ethyl 2-amino-2-sulfanylideneacetate;1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide;hydrazine

C34H35F2N15O5S — CID 159232776

IUPAC6-amino-3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4H-1,2,4-triazin-5-one;ethyl 2-amino-2-sulfanylideneacetate;1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide;hydrazine
SMILESCCOC(=O)C(N)=S.NN.Nc1nnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)[nH]c1=O.[H]/N=C(\N)c1cc(-c2ccon2)n(Cc2ccccc2F)n1
InChIInChI=1S/C16H12FN7O2.C14H12FN5O.C4H7NO2S.H4N2/c17-10-4-2-1-3-9(10)8-24-13(11-5-6-26-23-11)7-12(22-24)15-19-16(25)14(18)20-21-15;15-10-4-2-1-3-9(10)8-20-13(11-5-6-21-19-11)7-12(18-20)14(16)17;1-2-7-4(6)3(5)8;1-2/h1-7H,8H2,(H2,18,20)(H,19,21,25);1-7H,8H2,(H3,16,17);2H2,1H3,(H2,5,8);1-2H2
InChIKeyKTCOERRACRVRSY-UHFFFAOYSA-N
MW803.82 g/mol
LogP2.12
Rot. Bonds9

About 6-amino-3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4H-1,2,4-triazin-5-one;ethyl 2-amino-2-sulfanylideneacetate;1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide;hydrazine

6-amino-3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4H-1,2,4-triazin-5-one;ethyl 2-amino-2-sulfanylideneacetate;1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide;hydrazine (PubChem CID 159232776) has the molecular formula C34H35F2N15O5S and a molecular weight of 803.82 g/mol. Its IUPAC name is 6-amino-3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4H-1,2,4-triazin-5-one;ethyl 2-amino-2-sulfanylideneacetate;1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide;hydrazine.

Molecular Properties

Compound Name6-amino-3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4H-1,2,4-triazin-5-one;ethyl 2-amino-2-sulfanylideneacetate;1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide;hydrazine
PubChem CID159232776
Molecular FormulaC34H35F2N15O5S
Molecular Weight803.82 g/mol
Exact Mass803.26
IUPAC Name6-amino-3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4H-1,2,4-triazin-5-one;ethyl 2-amino-2-sulfanylideneacetate;1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide;hydrazine
SMILESCCOC(=O)C(N)=S.NN.Nc1nnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)[nH]c1=O.[H]/N=C(\N)c1cc(-c2ccon2)n(Cc2ccccc2F)n1
InChIInChI=1S/C16H12FN7O2.C14H12FN5O.C4H7NO2S.H4N2/c17-10-4-2-1-3-9(10)8-24-13(11-5-6-26-23-11)7-12(22-24)15-19-16(25)14(18)20-21-15;15-10-4-2-1-3-9(10)8-20-13(11-5-6-21-19-11)7-12(18-20)14(16)17;1-2-7-4(6)3(5)8;1-2/h1-7H,8H2,(H2,18,20)(H,19,21,25);1-7H,8H2,(H3,16,17);2H2,1H3,(H2,5,8);1-2H2
InChIKeyKTCOERRACRVRSY-UHFFFAOYSA-N
XLogP2.12
TPSA326.59 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500803.82
LogP ≤ 52.12
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 68643354
ethyl 3-(dimethylamino)-2-pyrrolidin-1-ylsulfonylprop-2-enoate;1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyrrolidin-1-ylsulfonyl-1H-pyrimidin-6-one;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
CID 160859658
1-[(2-fluorophenyl)methyl]-N-methylidene-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide
CID 163980281
3-[5-acetyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4H-1,2,4-triazin-5-one;3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4H-1,2,4-triazin-5-one
CID 162178597
ethyl 2-[3-[5-[5-[3-[[3-[6-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-5-oxo-4H-1,2,4-triazin-3-yl]-5-(1,2-oxazol-3-yl)pyrazol-1-yl]methyl]-4-fluorophenyl]-1,2-oxazol-3-yl]-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-oxo-1H-1,2,4-triazin-5-yl]-2-methylpropanoate
CID 137253684
[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]methanamine
CID 123260566
diethyl 2-[5-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-methylpropanedioate
CID 90425434
2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
CID 71604425
N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 90446206
N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidin-5-yl]-1-phenylcyclobutane-1-carboxamide
CID 146252415
ethyl 4-bromo-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
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N'-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]propanediamide
CID 118233464

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4H-1,2,4-triazin-5-one;ethyl 2-amino-2-sulfanylideneacetate;1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide;hydrazine?
The IUPAC name of 6-amino-3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4H-1,2,4-triazin-5-one;ethyl 2-amino-2-sulfanylideneacetate;1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide;hydrazine (CID 159232776) is 6-amino-3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4H-1,2,4-triazin-5-one;ethyl 2-amino-2-sulfanylideneacetate;1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide;hydrazine.
What is the SMILES notation for 6-amino-3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4H-1,2,4-triazin-5-one;ethyl 2-amino-2-sulfanylideneacetate;1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide;hydrazine?
The canonical SMILES for 6-amino-3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4H-1,2,4-triazin-5-one;ethyl 2-amino-2-sulfanylideneacetate;1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide;hydrazine is CCOC(=O)C(N)=S.NN.Nc1nnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)[nH]c1=O.[H]/N=C(\N)c1cc(-c2ccon2)n(Cc2ccccc2F)n1.
What is the InChIKey of 6-amino-3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4H-1,2,4-triazin-5-one;ethyl 2-amino-2-sulfanylideneacetate;1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide;hydrazine?
The InChIKey is KTCOERRACRVRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN7O2.C14H12FN5O.C4H7NO2S.H4N2/c17-10-4-2-1-3-9(10)8-24-13(11-5-6-26-23-11)7-12(22-24)15-19-16(25)14(18)20-21-15;15-10-4-2-1-3-9(10)8-20-13(11-5-6-21-19-11)7-12(18-20)14(16)17;1-2-7-4(6)3(5)8;1-2/h1-7H,8H2,(H2,18,20)(H,19,21,25);1-7H,8H2,(H3,16,17);2H2,1H3,(H2,5,8);1-2H2.
What are the key properties of 6-amino-3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4H-1,2,4-triazin-5-one;ethyl 2-amino-2-sulfanylideneacetate;1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide;hydrazine?
6-amino-3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4H-1,2,4-triazin-5-one;ethyl 2-amino-2-sulfanylideneacetate;1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide;hydrazine has a molecular weight of 803.82 g/mol, XLogP of 2.12, 9 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4H-1,2,4-triazin-5-one;ethyl 2-amino-2-sulfanylideneacetate;1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide;hydrazine is sourced from PubChem (CID 159232776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).