1,2-dihydropyridine-3-carbohydrazide

C6H9N3O — CID 141088843

IUPAC1,2-dihydropyridine-3-carbohydrazide
SMILESNNC(=O)C1=CC=CNC1
InChIInChI=1S/C6H9N3O/c7-9-6(10)5-2-1-3-8-4-5/h1-3,8H,4,7H2,(H,9,10)
InChIKeyCRQIIOJYRRXNBB-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.98
Rot. Bonds1

About 1,2-dihydropyridine-3-carbohydrazide

1,2-dihydropyridine-3-carbohydrazide (PubChem CID 141088843) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1,2-dihydropyridine-3-carbohydrazide.

Molecular Properties

Compound Name1,2-dihydropyridine-3-carbohydrazide
PubChem CID141088843
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1,2-dihydropyridine-3-carbohydrazide
SMILESNNC(=O)C1=CC=CNC1
InChIInChI=1S/C6H9N3O/c7-9-6(10)5-2-1-3-8-4-5/h1-3,8H,4,7H2,(H,9,10)
InChIKeyCRQIIOJYRRXNBB-UHFFFAOYSA-N
XLogP-0.98
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
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

3-(Aminomethyl)pyridin-2-ol
CID 579640
1,2-Dihydropyridine-3-carboxamide
CID 5231521
2-Oxo-1,2-dihydropyridine-4-carbohydrazide
CID 53424755
2-Sulfanylidene-1,2-dihydropyridine-3-carbohydrazide
CID 45116993
5-Fluoro-2-hydroxynicotinohydrazide
CID 133058134
2-Oxo-1,2-dihydropyridine-3-carbohydrazide
CID 45084358
N-(3-methyl-2-oxo-1-pyridinyl)formamide
CID 89277897
3-(Hydrazinylmethyl)pyridin-2(1H)-onehydrochloride
CID 141717654
3-(Hydrazinylmethyl)pyridin-2(1H)-one
CID 141717655
3-Methyl-1-(methylamino)pyridin-2-one
CID 146182733
1H-azepine-4-carbohydrazide
CID 148242361
hydrazine;3-methyl-1H-pyridin-2-one
CID 157066893

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridine-3-carbohydrazide?
The IUPAC name of 1,2-dihydropyridine-3-carbohydrazide (CID 141088843) is 1,2-dihydropyridine-3-carbohydrazide.
What is the SMILES notation for 1,2-dihydropyridine-3-carbohydrazide?
The canonical SMILES for 1,2-dihydropyridine-3-carbohydrazide is NNC(=O)C1=CC=CNC1.
What is the InChIKey of 1,2-dihydropyridine-3-carbohydrazide?
The InChIKey is CRQIIOJYRRXNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-9-6(10)5-2-1-3-8-4-5/h1-3,8H,4,7H2,(H,9,10).
What are the key properties of 1,2-dihydropyridine-3-carbohydrazide?
1,2-dihydropyridine-3-carbohydrazide has a molecular weight of 139.16 g/mol, XLogP of -0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridine-3-carbohydrazide is sourced from PubChem (CID 141088843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).