5-hex-1-ynylpyridine-3-carbohydrazide

C12H15N3O — CID 2736515

IUPAC5-hex-1-ynylpyridine-3-carbohydrazide
SMILESCCCCC#Cc1cncc(C(=O)NN)c1
InChIInChI=1S/C12H15N3O/c1-2-3-4-5-6-10-7-11(9-14-8-10)12(16)15-13/h7-9H,2-4,13H2,1H3,(H,15,16)
InChIKeyIJXSAUYUKUXSHR-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.23
Rot. Bonds3

About 5-hex-1-ynylpyridine-3-carbohydrazide

5-hex-1-ynylpyridine-3-carbohydrazide (PubChem CID 2736515) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-hex-1-ynylpyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-hex-1-ynylpyridine-3-carbohydrazide
PubChem CID2736515
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-hex-1-ynylpyridine-3-carbohydrazide
SMILESCCCCC#Cc1cncc(C(=O)NN)c1
InChIInChI=1S/C12H15N3O/c1-2-3-4-5-6-10-7-11(9-14-8-10)12(16)15-13/h7-9H,2-4,13H2,1H3,(H,15,16)
InChIKeyIJXSAUYUKUXSHR-UHFFFAOYSA-N
XLogP1.23
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Nicotinamide
CID 936
Isoniazid
CID 3767
Iproniazid
CID 3748
N'-Methylnicotinamide
CID 64950
N,N-Diethylnicotinamide
CID 5497
1-Methylnicotinamide
CID 457
Acetylisoniazid
CID 71602
N-Ethylnicotinamide
CID 78007
Nicotinic acid, hydrazide
CID 11112
3-Carbamyl-1-methylpyridinium Chloride
CID 70495
Crotoniazide
CID 5369886
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
CID 6869295

Frequently Asked Questions

What is the IUPAC name of 5-hex-1-ynylpyridine-3-carbohydrazide?
The IUPAC name of 5-hex-1-ynylpyridine-3-carbohydrazide (CID 2736515) is 5-hex-1-ynylpyridine-3-carbohydrazide.
What is the SMILES notation for 5-hex-1-ynylpyridine-3-carbohydrazide?
The canonical SMILES for 5-hex-1-ynylpyridine-3-carbohydrazide is CCCCC#Cc1cncc(C(=O)NN)c1.
What is the InChIKey of 5-hex-1-ynylpyridine-3-carbohydrazide?
The InChIKey is IJXSAUYUKUXSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-3-4-5-6-10-7-11(9-14-8-10)12(16)15-13/h7-9H,2-4,13H2,1H3,(H,15,16).
What are the key properties of 5-hex-1-ynylpyridine-3-carbohydrazide?
5-hex-1-ynylpyridine-3-carbohydrazide has a molecular weight of 217.27 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-1-ynylpyridine-3-carbohydrazide is sourced from PubChem (CID 2736515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).