ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate

C10H14N8O2 — CID 80898546

IUPACethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C10H14N8O2/c1-2-20-7(19)6-12-8-14-9(17-11)16-10(15-8)18-5-3-4-13-18/h3-5H,2,6,11H2,1H3,(H2,12,14,15,16,17)
InChIKeyKWAVDTIFQMISPB-UHFFFAOYSA-N
MW278.28 g/mol
LogP-0.68
Rot. Bonds6

About ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate

ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate (PubChem CID 80898546) has the molecular formula C10H14N8O2 and a molecular weight of 278.28 g/mol. Its IUPAC name is ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate
PubChem CID80898546
Molecular FormulaC10H14N8O2
Molecular Weight278.28 g/mol
Exact Mass278.12
IUPAC Nameethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C10H14N8O2/c1-2-20-7(19)6-12-8-14-9(17-11)16-10(15-8)18-5-3-4-13-18/h3-5H,2,6,11H2,1H3,(H2,12,14,15,16,17)
InChIKeyKWAVDTIFQMISPB-UHFFFAOYSA-N
XLogP-0.68
TPSA132.87 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate
CID 80789345
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 80894247
methyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate
CID 80777731
ethyl 3-[[4-[(4-fluorophenyl)methylamino]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanoate
CID 164595937
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethanol
CID 80932632
4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80898787
4-hydrazinyl-N-(2-propan-2-yloxyethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 113451062
1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
CID 80911229
N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide
CID 80901085
2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 80902539
4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine
CID 106294468
N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide
CID 80902251

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate (CID 80898546) is ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate is CCOC(=O)CNc1nc(NN)nc(-n2cccn2)n1.
What is the InChIKey of ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate?
The InChIKey is KWAVDTIFQMISPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N8O2/c1-2-20-7(19)6-12-8-14-9(17-11)16-10(15-8)18-5-3-4-13-18/h3-5H,2,6,11H2,1H3,(H2,12,14,15,16,17).
What are the key properties of ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate?
ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate has a molecular weight of 278.28 g/mol, XLogP of -0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate is sourced from PubChem (CID 80898546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).