1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea

C8H10N4O2 — CID 5380313

IUPAC1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea
SMILESNNC(=O)N/N=C\c1cccc(O)c1
InChIInChI=1S/C8H10N4O2/c9-11-8(14)12-10-5-6-2-1-3-7(13)4-6/h1-5,13H,9H2,(H2,11,12,14)/b10-5-
InChIKeyHYFHIDLHNNZKJR-YHYXMXQVSA-N
MW194.19 g/mol
LogP-0.10
Rot. Bonds2

About 1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea

1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea (PubChem CID 5380313) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea
PubChem CID5380313
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea
SMILESNNC(=O)N/N=C\c1cccc(O)c1
InChIInChI=1S/C8H10N4O2/c9-11-8(14)12-10-5-6-2-1-3-7(13)4-6/h1-5,13H,9H2,(H2,11,12,14)/b10-5-
InChIKeyHYFHIDLHNNZKJR-YHYXMXQVSA-N
XLogP-0.10
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate
CID 6861610
N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6885887
N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 966794
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6887460
2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide
CID 2690759
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450
1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea
CID 88822075
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
trans-(1S,2S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 5394841
4-amino-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 5339905
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 5427556
(1R,6S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 5406214

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea?
The IUPAC name of 1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea (CID 5380313) is 1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea is NNC(=O)N/N=C\c1cccc(O)c1.
What is the InChIKey of 1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea?
The InChIKey is HYFHIDLHNNZKJR-YHYXMXQVSA-N. The full InChI is InChI=1S/C8H10N4O2/c9-11-8(14)12-10-5-6-2-1-3-7(13)4-6/h1-5,13H,9H2,(H2,11,12,14)/b10-5-.
What are the key properties of 1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea?
1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea has a molecular weight of 194.19 g/mol, XLogP of -0.10, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea is sourced from PubChem (CID 5380313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).