4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one

C9H15N7O2 — CID 80931369

IUPAC4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one
SMILESCOc1nc(NN)nc(N2CCCNC(=O)C2)n1
InChIInChI=1S/C9H15N7O2/c1-18-9-13-7(15-10)12-8(14-9)16-4-2-3-11-6(17)5-16/h2-5,10H2,1H3,(H,11,17)(H,12,13,14,15)
InChIKeyWSDJJVGECFSPSJ-UHFFFAOYSA-N
MW253.27 g/mol
LogP-1.51
Rot. Bonds3

About 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one

4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one (PubChem CID 80931369) has the molecular formula C9H15N7O2 and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one
PubChem CID80931369
Molecular FormulaC9H15N7O2
Molecular Weight253.27 g/mol
Exact Mass253.13
IUPAC Name4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one
SMILESCOc1nc(NN)nc(N2CCCNC(=O)C2)n1
InChIInChI=1S/C9H15N7O2/c1-18-9-13-7(15-10)12-8(14-9)16-4-2-3-11-6(17)5-16/h2-5,10H2,1H3,(H,11,17)(H,12,13,14,15)
InChIKeyWSDJJVGECFSPSJ-UHFFFAOYSA-N
XLogP-1.51
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80921274
4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)piperazin-2-one
CID 80763853
[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80914000
[4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80907116
[4-methoxy-6-(4-methylsulfanylazepan-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 114238717
[4-(3,3-diethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80929797
4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-diazepan-2-one
CID 114567345
4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione
CID 80855575
4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one
CID 65363708
ethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate
CID 107877882
[4-(2,6-dimethylthiomorpholin-4-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80912272
4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methyl-1,4-diazepan-2-one
CID 102887838

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one?
The IUPAC name of 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one (CID 80931369) is 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one is COc1nc(NN)nc(N2CCCNC(=O)C2)n1.
What is the InChIKey of 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one?
The InChIKey is WSDJJVGECFSPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7O2/c1-18-9-13-7(15-10)12-8(14-9)16-4-2-3-11-6(17)5-16/h2-5,10H2,1H3,(H,11,17)(H,12,13,14,15).
What are the key properties of 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one?
4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one has a molecular weight of 253.27 g/mol, XLogP of -1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one is sourced from PubChem (CID 80931369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).