1-(4-aminophenyl)-3-[(E)-(ethylhydrazinylidene)methyl]urea;dihydrochloride

C10H17Cl2N5O — CID 135599714

IUPAC1-(4-aminophenyl)-3-[(E)-(ethylhydrazinylidene)methyl]urea;dihydrochloride
SMILESCCN/N=C/NC(=O)Nc1ccc(N)cc1.Cl.Cl
InChIInChI=1S/C10H15N5O.2ClH/c1-2-13-14-7-12-10(16)15-9-5-3-8(11)4-6-9;;/h3-7,13H,2,11H2,1H3,(H2,12,14,15,16);2*1H
InChIKeyXTOLSIALZWCBOC-UHFFFAOYSA-N
MW294.19 g/mol
LogP1.79
Rot. Bonds4

About 1-(4-aminophenyl)-3-[(E)-(ethylhydrazinylidene)methyl]urea;dihydrochloride

1-(4-aminophenyl)-3-[(E)-(ethylhydrazinylidene)methyl]urea;dihydrochloride (PubChem CID 135599714) has the molecular formula C10H17Cl2N5O and a molecular weight of 294.19 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-[(E)-(ethylhydrazinylidene)methyl]urea;dihydrochloride.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-[(E)-(ethylhydrazinylidene)methyl]urea;dihydrochloride
PubChem CID135599714
Molecular FormulaC10H17Cl2N5O
Molecular Weight294.19 g/mol
Exact Mass293.08
IUPAC Name1-(4-aminophenyl)-3-[(E)-(ethylhydrazinylidene)methyl]urea;dihydrochloride
SMILESCCN/N=C/NC(=O)Nc1ccc(N)cc1.Cl.Cl
InChIInChI=1S/C10H15N5O.2ClH/c1-2-13-14-7-12-10(16)15-9-5-3-8(11)4-6-9;;/h3-7,13H,2,11H2,1H3,(H2,12,14,15,16);2*1H
InChIKeyXTOLSIALZWCBOC-UHFFFAOYSA-N
XLogP1.79
TPSA91.54 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-[(E)-(ethylhydrazinylidene)methyl]urea;dihydrochloride?
The IUPAC name of 1-(4-aminophenyl)-3-[(E)-(ethylhydrazinylidene)methyl]urea;dihydrochloride (CID 135599714) is 1-(4-aminophenyl)-3-[(E)-(ethylhydrazinylidene)methyl]urea;dihydrochloride.
What is the SMILES notation for 1-(4-aminophenyl)-3-[(E)-(ethylhydrazinylidene)methyl]urea;dihydrochloride?
The canonical SMILES for 1-(4-aminophenyl)-3-[(E)-(ethylhydrazinylidene)methyl]urea;dihydrochloride is CCN/N=C/NC(=O)Nc1ccc(N)cc1.Cl.Cl.
What is the InChIKey of 1-(4-aminophenyl)-3-[(E)-(ethylhydrazinylidene)methyl]urea;dihydrochloride?
The InChIKey is XTOLSIALZWCBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O.2ClH/c1-2-13-14-7-12-10(16)15-9-5-3-8(11)4-6-9;;/h3-7,13H,2,11H2,1H3,(H2,12,14,15,16);2*1H.
What are the key properties of 1-(4-aminophenyl)-3-[(E)-(ethylhydrazinylidene)methyl]urea;dihydrochloride?
1-(4-aminophenyl)-3-[(E)-(ethylhydrazinylidene)methyl]urea;dihydrochloride has a molecular weight of 294.19 g/mol, XLogP of 1.79, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-[(E)-(ethylhydrazinylidene)methyl]urea;dihydrochloride is sourced from PubChem (CID 135599714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).