ethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate

C11H19N7O3 — CID 107877882

IUPACethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(NN)nc(OC)n2)CC1
InChIInChI=1S/C11H19N7O3/c1-3-21-11(19)18-6-4-17(5-7-18)9-13-8(16-12)14-10(15-9)20-2/h3-7,12H2,1-2H3,(H,13,14,15,16)
InChIKeyNTPYWDWBWOUUKD-UHFFFAOYSA-N
MW297.32 g/mol
LogP-0.56
Rot. Bonds4

About ethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate

ethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate (PubChem CID 107877882) has the molecular formula C11H19N7O3 and a molecular weight of 297.32 g/mol. Its IUPAC name is ethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate
PubChem CID107877882
Molecular FormulaC11H19N7O3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Nameethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(NN)nc(OC)n2)CC1
InChIInChI=1S/C11H19N7O3/c1-3-21-11(19)18-6-4-17(5-7-18)9-13-8(16-12)14-10(15-9)20-2/h3-7,12H2,1-2H3,(H,13,14,15,16)
InChIKeyNTPYWDWBWOUUKD-UHFFFAOYSA-N
XLogP-0.56
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze ethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80766965
[4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80907116
ethyl 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate
CID 107877533
[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80914000
[4-(3,3-diethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80929797
[1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol
CID 112629745
4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80921274
1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322588
1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N-methylpiperidine-4-carboxamide
CID 80900405
1-[4-(4-butyl-6-hydrazinyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone
CID 71399541
ethyl 4-(5-bromo-4-methoxypyrimidin-2-yl)piperazine-1-carboxylate
CID 103726594
[4-(2,6-dimethylthiomorpholin-4-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80912272

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate (CID 107877882) is ethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(NN)nc(OC)n2)CC1.
What is the InChIKey of ethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate?
The InChIKey is NTPYWDWBWOUUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7O3/c1-3-21-11(19)18-6-4-17(5-7-18)9-13-8(16-12)14-10(15-9)20-2/h3-7,12H2,1-2H3,(H,13,14,15,16).
What are the key properties of ethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate?
ethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate has a molecular weight of 297.32 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 107877882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).