5-(hydroxymethyl)benzene-1,3-dicarbohydrazide

C9H12N4O3 — CID 69302191

IUPAC5-(hydroxymethyl)benzene-1,3-dicarbohydrazide
SMILESNNC(=O)c1cc(CO)cc(C(=O)NN)c1
InChIInChI=1S/C9H12N4O3/c10-12-8(15)6-1-5(4-14)2-7(3-6)9(16)13-11/h1-3,14H,4,10-11H2,(H,12,15)(H,13,16)
InChIKeyLKBWGZXHSZFVNC-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.61
Rot. Bonds3

About 5-(hydroxymethyl)benzene-1,3-dicarbohydrazide

5-(hydroxymethyl)benzene-1,3-dicarbohydrazide (PubChem CID 69302191) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-(hydroxymethyl)benzene-1,3-dicarbohydrazide.

Molecular Properties

Compound Name5-(hydroxymethyl)benzene-1,3-dicarbohydrazide
PubChem CID69302191
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name5-(hydroxymethyl)benzene-1,3-dicarbohydrazide
SMILESNNC(=O)c1cc(CO)cc(C(=O)NN)c1
InChIInChI=1S/C9H12N4O3/c10-12-8(15)6-1-5(4-14)2-7(3-6)9(16)13-11/h1-3,14H,4,10-11H2,(H,12,15)(H,13,16)
InChIKeyLKBWGZXHSZFVNC-UHFFFAOYSA-N
XLogP-1.61
TPSA130.47 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 5-(hydroxymethyl)benzene-1,3-dicarbohydrazide?
The IUPAC name of 5-(hydroxymethyl)benzene-1,3-dicarbohydrazide (CID 69302191) is 5-(hydroxymethyl)benzene-1,3-dicarbohydrazide.
What is the SMILES notation for 5-(hydroxymethyl)benzene-1,3-dicarbohydrazide?
The canonical SMILES for 5-(hydroxymethyl)benzene-1,3-dicarbohydrazide is NNC(=O)c1cc(CO)cc(C(=O)NN)c1.
What is the InChIKey of 5-(hydroxymethyl)benzene-1,3-dicarbohydrazide?
The InChIKey is LKBWGZXHSZFVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-12-8(15)6-1-5(4-14)2-7(3-6)9(16)13-11/h1-3,14H,4,10-11H2,(H,12,15)(H,13,16).
What are the key properties of 5-(hydroxymethyl)benzene-1,3-dicarbohydrazide?
5-(hydroxymethyl)benzene-1,3-dicarbohydrazide has a molecular weight of 224.22 g/mol, XLogP of -1.61, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)benzene-1,3-dicarbohydrazide is sourced from PubChem (CID 69302191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).