2,3,4,5-tetrahydropyridine-3-carbohydrazide

C6H11N3O — CID 123659589

IUPAC2,3,4,5-tetrahydropyridine-3-carbohydrazide
SMILESNNC(=O)C1CCC=NC1
InChIInChI=1S/C6H11N3O/c7-9-6(10)5-2-1-3-8-4-5/h3,5H,1-2,4,7H2,(H,9,10)
InChIKeyIFLRBXPMHWUSAK-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.54
Rot. Bonds1

About 2,3,4,5-tetrahydropyridine-3-carbohydrazide

2,3,4,5-tetrahydropyridine-3-carbohydrazide (PubChem CID 123659589) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2,3,4,5-tetrahydropyridine-3-carbohydrazide.

Molecular Properties

Compound Name2,3,4,5-tetrahydropyridine-3-carbohydrazide
PubChem CID123659589
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2,3,4,5-tetrahydropyridine-3-carbohydrazide
SMILESNNC(=O)C1CCC=NC1
InChIInChI=1S/C6H11N3O/c7-9-6(10)5-2-1-3-8-4-5/h3,5H,1-2,4,7H2,(H,9,10)
InChIKeyIFLRBXPMHWUSAK-UHFFFAOYSA-N
XLogP-0.54
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

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(1R,6S)-bicyclo[4.1.0]hept-3-ene-7-carbohydrazide
CID 13349682
cis-(1R,2S)-2-hydroxycyclopentane-1-carbohydrazide
CID 14687010
3-aminocyclopentane-1-carbohydrazide
CID 66010273
ethane;piperidine-3-carbohydrazide
CID 143869941
3,3-dimethylcyclobutane-1-carbohydrazide
CID 126971918
2-pyrrolidin-1-ylcyclohexane-1-carbohydrazide;hydrochloride
CID 21276976
2-oxocyclohexane-1-carbohydrazide
CID 45084441
trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carbohydrazide
CID 45084499
azepane-2-carbohydrazide
CID 64570757

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydropyridine-3-carbohydrazide?
The IUPAC name of 2,3,4,5-tetrahydropyridine-3-carbohydrazide (CID 123659589) is 2,3,4,5-tetrahydropyridine-3-carbohydrazide.
What is the SMILES notation for 2,3,4,5-tetrahydropyridine-3-carbohydrazide?
The canonical SMILES for 2,3,4,5-tetrahydropyridine-3-carbohydrazide is NNC(=O)C1CCC=NC1.
What is the InChIKey of 2,3,4,5-tetrahydropyridine-3-carbohydrazide?
The InChIKey is IFLRBXPMHWUSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c7-9-6(10)5-2-1-3-8-4-5/h3,5H,1-2,4,7H2,(H,9,10).
What are the key properties of 2,3,4,5-tetrahydropyridine-3-carbohydrazide?
2,3,4,5-tetrahydropyridine-3-carbohydrazide has a molecular weight of 141.17 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydropyridine-3-carbohydrazide is sourced from PubChem (CID 123659589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).