5-(cyclohexylamino)-2-hydroxybenzohydrazide

C13H19N3O2 — CID 70540324

IUPAC5-(cyclohexylamino)-2-hydroxybenzohydrazide
SMILESNNC(=O)c1cc(NC2CCCCC2)ccc1O
InChIInChI=1S/C13H19N3O2/c14-16-13(18)11-8-10(6-7-12(11)17)15-9-4-2-1-3-5-9/h6-9,15,17H,1-5,14H2,(H,16,18)
InChIKeyDDXJWWNYCMUOJI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.74
Rot. Bonds3

About 5-(cyclohexylamino)-2-hydroxybenzohydrazide

5-(cyclohexylamino)-2-hydroxybenzohydrazide (PubChem CID 70540324) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-(cyclohexylamino)-2-hydroxybenzohydrazide.

Molecular Properties

Compound Name5-(cyclohexylamino)-2-hydroxybenzohydrazide
PubChem CID70540324
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-(cyclohexylamino)-2-hydroxybenzohydrazide
SMILESNNC(=O)c1cc(NC2CCCCC2)ccc1O
InChIInChI=1S/C13H19N3O2/c14-16-13(18)11-8-10(6-7-12(11)17)15-9-4-2-1-3-5-9/h6-9,15,17H,1-5,14H2,(H,16,18)
InChIKeyDDXJWWNYCMUOJI-UHFFFAOYSA-N
XLogP1.74
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.74
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': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(cyclooctylamino)benzoic acid
CID 60989029
2-chloro-5-(cyclohexylamino)benzoic acid
CID 43736277
5-(cyclohexylamino)-2-methylbenzoic acid
CID 82932718
methyl 2-amino-5-(cycloheptylamino)benzoate
CID 61305877
2-chloro-4-(cyclopentylamino)benzamide
CID 43736418
1-[4-(cyclohexylamino)-2-methylphenyl]ethanone
CID 20716281
4-hydroxybenzene-1,3-dicarbohydrazide
CID 13149470
methyl 2-chloro-5-(cyclopentylamino)benzoate
CID 43672677
4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid
CID 62711963
[4-(cyclopentylamino)phenyl]urea
CID 43744886
N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide
CID 107725268
1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-2-hydroxybenzohydrazide?
The IUPAC name of 5-(cyclohexylamino)-2-hydroxybenzohydrazide (CID 70540324) is 5-(cyclohexylamino)-2-hydroxybenzohydrazide.
What is the SMILES notation for 5-(cyclohexylamino)-2-hydroxybenzohydrazide?
The canonical SMILES for 5-(cyclohexylamino)-2-hydroxybenzohydrazide is NNC(=O)c1cc(NC2CCCCC2)ccc1O.
What is the InChIKey of 5-(cyclohexylamino)-2-hydroxybenzohydrazide?
The InChIKey is DDXJWWNYCMUOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-16-13(18)11-8-10(6-7-12(11)17)15-9-4-2-1-3-5-9/h6-9,15,17H,1-5,14H2,(H,16,18).
What are the key properties of 5-(cyclohexylamino)-2-hydroxybenzohydrazide?
5-(cyclohexylamino)-2-hydroxybenzohydrazide has a molecular weight of 249.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-2-hydroxybenzohydrazide is sourced from PubChem (CID 70540324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).