N'-propan-2-ylpyridine-2-carbohydrazide

C9H13N3O — CID 3041746

IUPACN'-propan-2-ylpyridine-2-carbohydrazide
SMILESCC(C)NNC(=O)c1ccccn1
InChIInChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-5-3-4-6-10-8/h3-7,11H,1-2H3,(H,12,13)
InChIKeyIRGKCIREJKNGGC-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.72
Rot. Bonds3

About N'-propan-2-ylpyridine-2-carbohydrazide

N'-propan-2-ylpyridine-2-carbohydrazide (PubChem CID 3041746) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N'-propan-2-ylpyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-propan-2-ylpyridine-2-carbohydrazide
PubChem CID3041746
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN'-propan-2-ylpyridine-2-carbohydrazide
SMILESCC(C)NNC(=O)c1ccccn1
InChIInChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-5-3-4-6-10-8/h3-7,11H,1-2H3,(H,12,13)
InChIKeyIRGKCIREJKNGGC-UHFFFAOYSA-N
XLogP0.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-propan-2-ylpyridine-2-carbohydrazide?
The IUPAC name of N'-propan-2-ylpyridine-2-carbohydrazide (CID 3041746) is N'-propan-2-ylpyridine-2-carbohydrazide.
What is the SMILES notation for N'-propan-2-ylpyridine-2-carbohydrazide?
The canonical SMILES for N'-propan-2-ylpyridine-2-carbohydrazide is CC(C)NNC(=O)c1ccccn1.
What is the InChIKey of N'-propan-2-ylpyridine-2-carbohydrazide?
The InChIKey is IRGKCIREJKNGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-5-3-4-6-10-8/h3-7,11H,1-2H3,(H,12,13).
What are the key properties of N'-propan-2-ylpyridine-2-carbohydrazide?
N'-propan-2-ylpyridine-2-carbohydrazide has a molecular weight of 179.22 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-ylpyridine-2-carbohydrazide is sourced from PubChem (CID 3041746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).