1-hydrazinyl-N-(1,2-oxazol-4-yl)isoquinoline-3-carboxamide

C13H11N5O2 — CID 62915996

IUPAC1-hydrazinyl-N-(1,2-oxazol-4-yl)isoquinoline-3-carboxamide
SMILESNNc1nc(C(=O)Nc2cnoc2)cc2ccccc12
InChIInChI=1S/C13H11N5O2/c14-18-12-10-4-2-1-3-8(10)5-11(17-12)13(19)16-9-6-15-20-7-9/h1-7H,14H2,(H,16,19)(H,17,18)
InChIKeyUVWZEBJIGXBYOX-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.76
Rot. Bonds3

About 1-hydrazinyl-N-(1,2-oxazol-4-yl)isoquinoline-3-carboxamide

1-hydrazinyl-N-(1,2-oxazol-4-yl)isoquinoline-3-carboxamide (PubChem CID 62915996) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-hydrazinyl-N-(1,2-oxazol-4-yl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-hydrazinyl-N-(1,2-oxazol-4-yl)isoquinoline-3-carboxamide
PubChem CID62915996
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name1-hydrazinyl-N-(1,2-oxazol-4-yl)isoquinoline-3-carboxamide
SMILESNNc1nc(C(=O)Nc2cnoc2)cc2ccccc12
InChIInChI=1S/C13H11N5O2/c14-18-12-10-4-2-1-3-8(10)5-11(17-12)13(19)16-9-6-15-20-7-9/h1-7H,14H2,(H,16,19)(H,17,18)
InChIKeyUVWZEBJIGXBYOX-UHFFFAOYSA-N
XLogP1.76
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide
CID 62242496
6-hydrazinyl-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide
CID 62913247
N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide
CID 62249892
6-amino-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide
CID 62914715
1-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]isoquinoline-3-carboxamide
CID 62249172
5-amino-N-(1,2-oxazol-4-yl)-1,2-oxazole-3-carboxamide
CID 130563046
1-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)isoquinoline-3-carboxamide
CID 81178122
N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide
CID 62242128
6-(1,2-oxazol-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 62915437
1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
CID 62243238
6-bromo-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide
CID 103889880
1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide
CID 62249319

Frequently Asked Questions

What is the IUPAC name of 1-hydrazinyl-N-(1,2-oxazol-4-yl)isoquinoline-3-carboxamide?
The IUPAC name of 1-hydrazinyl-N-(1,2-oxazol-4-yl)isoquinoline-3-carboxamide (CID 62915996) is 1-hydrazinyl-N-(1,2-oxazol-4-yl)isoquinoline-3-carboxamide.
What is the SMILES notation for 1-hydrazinyl-N-(1,2-oxazol-4-yl)isoquinoline-3-carboxamide?
The canonical SMILES for 1-hydrazinyl-N-(1,2-oxazol-4-yl)isoquinoline-3-carboxamide is NNc1nc(C(=O)Nc2cnoc2)cc2ccccc12.
What is the InChIKey of 1-hydrazinyl-N-(1,2-oxazol-4-yl)isoquinoline-3-carboxamide?
The InChIKey is UVWZEBJIGXBYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c14-18-12-10-4-2-1-3-8(10)5-11(17-12)13(19)16-9-6-15-20-7-9/h1-7H,14H2,(H,16,19)(H,17,18).
What are the key properties of 1-hydrazinyl-N-(1,2-oxazol-4-yl)isoquinoline-3-carboxamide?
1-hydrazinyl-N-(1,2-oxazol-4-yl)isoquinoline-3-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinyl-N-(1,2-oxazol-4-yl)isoquinoline-3-carboxamide is sourced from PubChem (CID 62915996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).