3-amino-6-chloro-N,N',4-trimethylpyridine-2-carbohydrazide

C9H13ClN4O — CID 88855719

IUPAC3-amino-6-chloro-N,N',4-trimethylpyridine-2-carbohydrazide
SMILESCNN(C)C(=O)c1nc(Cl)cc(C)c1N
InChIInChI=1S/C9H13ClN4O/c1-5-4-6(10)13-8(7(5)11)9(15)14(3)12-2/h4,12H,11H2,1-3H3
InChIKeyBUZVXXBZBBORJZ-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.83
Rot. Bonds2

About 3-amino-6-chloro-N,N',4-trimethylpyridine-2-carbohydrazide

3-amino-6-chloro-N,N',4-trimethylpyridine-2-carbohydrazide (PubChem CID 88855719) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-amino-6-chloro-N,N',4-trimethylpyridine-2-carbohydrazide.

Molecular Properties

Compound Name3-amino-6-chloro-N,N',4-trimethylpyridine-2-carbohydrazide
PubChem CID88855719
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name3-amino-6-chloro-N,N',4-trimethylpyridine-2-carbohydrazide
SMILESCNN(C)C(=O)c1nc(Cl)cc(C)c1N
InChIInChI=1S/C9H13ClN4O/c1-5-4-6(10)13-8(7(5)11)9(15)14(3)12-2/h4,12H,11H2,1-3H3
InChIKeyBUZVXXBZBBORJZ-UHFFFAOYSA-N
XLogP0.83
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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 3-amino-6-chloro-N,N',4-trimethylpyridine-2-carbohydrazide?
The IUPAC name of 3-amino-6-chloro-N,N',4-trimethylpyridine-2-carbohydrazide (CID 88855719) is 3-amino-6-chloro-N,N',4-trimethylpyridine-2-carbohydrazide.
What is the SMILES notation for 3-amino-6-chloro-N,N',4-trimethylpyridine-2-carbohydrazide?
The canonical SMILES for 3-amino-6-chloro-N,N',4-trimethylpyridine-2-carbohydrazide is CNN(C)C(=O)c1nc(Cl)cc(C)c1N.
What is the InChIKey of 3-amino-6-chloro-N,N',4-trimethylpyridine-2-carbohydrazide?
The InChIKey is BUZVXXBZBBORJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-5-4-6(10)13-8(7(5)11)9(15)14(3)12-2/h4,12H,11H2,1-3H3.
What are the key properties of 3-amino-6-chloro-N,N',4-trimethylpyridine-2-carbohydrazide?
3-amino-6-chloro-N,N',4-trimethylpyridine-2-carbohydrazide has a molecular weight of 228.68 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N,N',4-trimethylpyridine-2-carbohydrazide is sourced from PubChem (CID 88855719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).