2-hydrazinyl-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide

C13H12N6O — CID 62242138

IUPAC2-hydrazinyl-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide
SMILESNNc1cc(C(=O)Nc2cn[nH]c2)c2ccccc2n1
InChIInChI=1S/C13H12N6O/c14-19-12-5-10(9-3-1-2-4-11(9)18-12)13(20)17-8-6-15-16-7-8/h1-7H,14H2,(H,15,16)(H,17,20)(H,18,19)
InChIKeyMHEMXBSOGMXBLC-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.50
Rot. Bonds3

About 2-hydrazinyl-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide

2-hydrazinyl-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 62242138) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-hydrazinyl-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide
PubChem CID62242138
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name2-hydrazinyl-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide
SMILESNNc1cc(C(=O)Nc2cn[nH]c2)c2ccccc2n1
InChIInChI=1S/C13H12N6O/c14-19-12-5-10(9-3-1-2-4-11(9)18-12)13(20)17-8-6-15-16-7-8/h1-7H,14H2,(H,15,16)(H,17,20)(H,18,19)
InChIKeyMHEMXBSOGMXBLC-UHFFFAOYSA-N
XLogP1.50
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide
CID 62154124
1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide
CID 62242496
2-hydrazinyl-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 62235922
N-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide
CID 62241412
2-hydrazinyl-N-(1-methylcyclopropyl)quinoline-4-carboxamide
CID 113486009
2-hydrazinyl-N-(1-methylcyclopentyl)quinoline-4-carboxamide
CID 64688890
2-oxo-6-phenyl-N-(1H-pyrazol-4-yl)-1H-pyridine-3-carboxamide
CID 60506694
N-[2-(dimethylamino)propyl]-2-hydrazinylquinoline-4-carboxamide
CID 62247663
2-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)quinoline-4-carboxamide
CID 62247287
2-hydrazinyl-N-(oxolan-3-yl)quinoline-4-carboxamide
CID 80714740
2-methyl-4-phenoxy-N-(1H-pyrazol-4-yl)benzamide
CID 167795680
2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 106218026

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of 2-hydrazinyl-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide (CID 62242138) is 2-hydrazinyl-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-hydrazinyl-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-hydrazinyl-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide is NNc1cc(C(=O)Nc2cn[nH]c2)c2ccccc2n1.
What is the InChIKey of 2-hydrazinyl-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is MHEMXBSOGMXBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c14-19-12-5-10(9-3-1-2-4-11(9)18-12)13(20)17-8-6-15-16-7-8/h1-7H,14H2,(H,15,16)(H,17,20)(H,18,19).
What are the key properties of 2-hydrazinyl-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide?
2-hydrazinyl-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 62242138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).