1-hydrazinylisoquinoline-4-carbohydrazide

C10H11N5O — CID 165346130

IUPAC1-hydrazinylisoquinoline-4-carbohydrazide
SMILESNNC(=O)c1cnc(NN)c2ccccc12
InChIInChI=1S/C10H11N5O/c11-14-9-7-4-2-1-3-6(7)8(5-13-9)10(16)15-12/h1-5H,11-12H2,(H,13,14)(H,15,16)
InChIKeyCSAPBFYJVPLLKY-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.12
Rot. Bonds2

About 1-hydrazinylisoquinoline-4-carbohydrazide

1-hydrazinylisoquinoline-4-carbohydrazide (PubChem CID 165346130) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-hydrazinylisoquinoline-4-carbohydrazide.

Molecular Properties

Compound Name1-hydrazinylisoquinoline-4-carbohydrazide
PubChem CID165346130
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name1-hydrazinylisoquinoline-4-carbohydrazide
SMILESNNC(=O)c1cnc(NN)c2ccccc12
InChIInChI=1S/C10H11N5O/c11-14-9-7-4-2-1-3-6(7)8(5-13-9)10(16)15-12/h1-5H,11-12H2,(H,13,14)(H,15,16)
InChIKeyCSAPBFYJVPLLKY-UHFFFAOYSA-N
XLogP0.12
TPSA106.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

Analyze 1-hydrazinylisoquinoline-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide
CID 106773595
1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide
CID 106774378
1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide
CID 106773855
1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide
CID 106774052
1-hydrazinyl-N-(thiadiazol-5-yl)isoquinoline-4-carboxamide
CID 106774508
1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide
CID 106774391
N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-4-carboxamide
CID 106773929
1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide
CID 106774275
1-hydrazinyl-N-(3-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide
CID 106773338
N-ethyl-1-hydrazinyl-N-propan-2-ylisoquinoline-4-carboxamide
CID 106773895
N-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide
CID 106773886
(3,4-dihydroxypyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone
CID 106774564

Frequently Asked Questions

What is the IUPAC name of 1-hydrazinylisoquinoline-4-carbohydrazide?
The IUPAC name of 1-hydrazinylisoquinoline-4-carbohydrazide (CID 165346130) is 1-hydrazinylisoquinoline-4-carbohydrazide.
What is the SMILES notation for 1-hydrazinylisoquinoline-4-carbohydrazide?
The canonical SMILES for 1-hydrazinylisoquinoline-4-carbohydrazide is NNC(=O)c1cnc(NN)c2ccccc12.
What is the InChIKey of 1-hydrazinylisoquinoline-4-carbohydrazide?
The InChIKey is CSAPBFYJVPLLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-14-9-7-4-2-1-3-6(7)8(5-13-9)10(16)15-12/h1-5H,11-12H2,(H,13,14)(H,15,16).
What are the key properties of 1-hydrazinylisoquinoline-4-carbohydrazide?
1-hydrazinylisoquinoline-4-carbohydrazide has a molecular weight of 217.23 g/mol, XLogP of 0.12, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinylisoquinoline-4-carbohydrazide is sourced from PubChem (CID 165346130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).