[6-amino-3-(hydrazinecarbonyl)-6-methoxycyclohexa-1,3-dien-1-yl] hypochlorite

C8H12ClN3O3 — CID 172738881

IUPAC[6-amino-3-(hydrazinecarbonyl)-6-methoxycyclohexa-1,3-dien-1-yl] hypochlorite
SMILESCOC1(N)CC=C(C(=O)NN)C=C1OCl
InChIInChI=1S/C8H12ClN3O3/c1-14-8(10)3-2-5(7(13)12-11)4-6(8)15-9/h2,4H,3,10-11H2,1H3,(H,12,13)
InChIKeyIUXJDDWFNCMLDF-UHFFFAOYSA-N
MW233.65 g/mol
LogP-0.34
Rot. Bonds3

About [6-amino-3-(hydrazinecarbonyl)-6-methoxycyclohexa-1,3-dien-1-yl] hypochlorite

[6-amino-3-(hydrazinecarbonyl)-6-methoxycyclohexa-1,3-dien-1-yl] hypochlorite (PubChem CID 172738881) has the molecular formula C8H12ClN3O3 and a molecular weight of 233.65 g/mol. Its IUPAC name is [6-amino-3-(hydrazinecarbonyl)-6-methoxycyclohexa-1,3-dien-1-yl] hypochlorite.

Molecular Properties

Compound Name[6-amino-3-(hydrazinecarbonyl)-6-methoxycyclohexa-1,3-dien-1-yl] hypochlorite
PubChem CID172738881
Molecular FormulaC8H12ClN3O3
Molecular Weight233.65 g/mol
Exact Mass233.06
IUPAC Name[6-amino-3-(hydrazinecarbonyl)-6-methoxycyclohexa-1,3-dien-1-yl] hypochlorite
SMILESCOC1(N)CC=C(C(=O)NN)C=C1OCl
InChIInChI=1S/C8H12ClN3O3/c1-14-8(10)3-2-5(7(13)12-11)4-6(8)15-9/h2,4H,3,10-11H2,1H3,(H,12,13)
InChIKeyIUXJDDWFNCMLDF-UHFFFAOYSA-N
XLogP-0.34
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [6-amino-3-(hydrazinecarbonyl)-6-methoxycyclohexa-1,3-dien-1-yl] hypochlorite 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

methyl 5-amino-4-methyl-4-(methylamino)cyclohexa-1,5-diene-1-carboxylate
CID 170948209
4,4-diamino-N-(2-methoxyphenyl)cyclohexa-1,5-diene-1-carboxamide
CID 174896778
2,6-dimethoxybenzohydrazide
CID 2806104
N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 33101638
methyl 3-(4,4-dichlorocyclohexa-1,5-dien-1-yl)-3-oxopropanoate
CID 151701976
4-[(1-aminocyclopropyl)methyl]-N-propan-2-ylbenzamide
CID 115039039
4-oxocyclohexa-1,5-diene-1-carbohydrazide
CID 22993290
ethane;4-methylbenzohydrazide
CID 143952809
acetic acid;benzene-1,2-dicarbohydrazide
CID 174566374
methyl 4-(hydrazinecarbonyl)-2-methylbenzoate
CID 162059999
methyl 3-[4-(1-aminocyclopropyl)phenyl]-2-methylpropanoate
CID 115039582
4-formyl-4-methyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
CID 141478377

Frequently Asked Questions

What is the IUPAC name of [6-amino-3-(hydrazinecarbonyl)-6-methoxycyclohexa-1,3-dien-1-yl] hypochlorite?
The IUPAC name of [6-amino-3-(hydrazinecarbonyl)-6-methoxycyclohexa-1,3-dien-1-yl] hypochlorite (CID 172738881) is [6-amino-3-(hydrazinecarbonyl)-6-methoxycyclohexa-1,3-dien-1-yl] hypochlorite.
What is the SMILES notation for [6-amino-3-(hydrazinecarbonyl)-6-methoxycyclohexa-1,3-dien-1-yl] hypochlorite?
The canonical SMILES for [6-amino-3-(hydrazinecarbonyl)-6-methoxycyclohexa-1,3-dien-1-yl] hypochlorite is COC1(N)CC=C(C(=O)NN)C=C1OCl.
What is the InChIKey of [6-amino-3-(hydrazinecarbonyl)-6-methoxycyclohexa-1,3-dien-1-yl] hypochlorite?
The InChIKey is IUXJDDWFNCMLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O3/c1-14-8(10)3-2-5(7(13)12-11)4-6(8)15-9/h2,4H,3,10-11H2,1H3,(H,12,13).
What are the key properties of [6-amino-3-(hydrazinecarbonyl)-6-methoxycyclohexa-1,3-dien-1-yl] hypochlorite?
[6-amino-3-(hydrazinecarbonyl)-6-methoxycyclohexa-1,3-dien-1-yl] hypochlorite has a molecular weight of 233.65 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-3-(hydrazinecarbonyl)-6-methoxycyclohexa-1,3-dien-1-yl] hypochlorite is sourced from PubChem (CID 172738881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).